N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C121H156N18O16 — CID 158804652

IUPACN-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CN1.C[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CN1C.O=C(NC1CC(COCC#CC2CCCCC2)N(C2CC2)C1)c1cc(C2CC2)on1.O=C(NC1CC(COCC#Cc2ccccc2)N(C2CC2)C1)c1cc(C2CC2)on1.O=C(NC1CN(C2CC2)CC1COCC#CC1CCCCC1)c1cc(C2CC2)on1.O=C(NC1CN(C2CC2)CC1COCC#Cc1ccccc1)c1cc(C2CC2)on1
InChIInChI=1S/C24H33N3O3.C24H27N3O3.C24H33N3O3.C24H27N3O3.C13H19N3O2.C12H17N3O2/c2*28-24(21-13-23(30-26-21)18-8-9-18)25-22-15-27(20-10-11-20)14-19(22)16-29-12-4-7-17-5-2-1-3-6-17;2*28-24(22-14-23(30-26-22)18-8-9-18)25-19-13-21(27(15-19)20-10-11-20)16-29-12-4-7-17-5-2-1-3-6-17;1-8-5-10(7-16(8)2)14-13(17)11-6-12(18-15-11)9-3-4-9;1-7-4-9(6-13-7)14-12(16)10-5-11(17-15-10)8-2-3-8/h13,17-20,22H,1-3,5-6,8-12,14-16H2,(H,25,28);1-3,5-6,13,18-20,22H,8-12,14-16H2,(H,25,28);14,17-21H,1-3,5-6,8-13,15-16H2,(H,25,28);1-3,5-6,14,18-21H,8-13,15-16H2,(H,25,28);6,8-10H,3-5,7H2,1-2H3,(H,14,17);5,7-9,13H,2-4,6H2,1H3,(H,14,16)/t;;;;8-,10+;7-,9+/m....00/s1
InChIKeyITXQJKUWQUMILB-OHEKXIMRSA-N
MW2118.69 g/mol
LogP15.01
Rot. Bonds34

About N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 158804652) has the molecular formula C121H156N18O16 and a molecular weight of 2118.69 g/mol. Its IUPAC name is N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID158804652
Molecular FormulaC121H156N18O16
Molecular Weight2118.69 g/mol
Exact Mass2117.19
IUPAC NameN-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CN1.C[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CN1C.O=C(NC1CC(COCC#CC2CCCCC2)N(C2CC2)C1)c1cc(C2CC2)on1.O=C(NC1CC(COCC#Cc2ccccc2)N(C2CC2)C1)c1cc(C2CC2)on1.O=C(NC1CN(C2CC2)CC1COCC#CC1CCCCC1)c1cc(C2CC2)on1.O=C(NC1CN(C2CC2)CC1COCC#Cc1ccccc1)c1cc(C2CC2)on1
InChIInChI=1S/C24H33N3O3.C24H27N3O3.C24H33N3O3.C24H27N3O3.C13H19N3O2.C12H17N3O2/c2*28-24(21-13-23(30-26-21)18-8-9-18)25-22-15-27(20-10-11-20)14-19(22)16-29-12-4-7-17-5-2-1-3-6-17;2*28-24(22-14-23(30-26-22)18-8-9-18)25-19-13-21(27(15-19)20-10-11-20)16-29-12-4-7-17-5-2-1-3-6-17;1-8-5-10(7-16(8)2)14-13(17)11-6-12(18-15-11)9-3-4-9;1-7-4-9(6-13-7)14-12(16)10-5-11(17-15-10)8-2-3-8/h13,17-20,22H,1-3,5-6,8-12,14-16H2,(H,25,28);1-3,5-6,13,18-20,22H,8-12,14-16H2,(H,25,28);14,17-21H,1-3,5-6,8-13,15-16H2,(H,25,28);1-3,5-6,14,18-21H,8-13,15-16H2,(H,25,28);6,8-10H,3-5,7H2,1-2H3,(H,14,17);5,7-9,13H,2-4,6H2,1H3,(H,14,16)/t;;;;8-,10+;7-,9+/m....00/s1
InChIKeyITXQJKUWQUMILB-OHEKXIMRSA-N
XLogP15.01
TPSA395.93 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002118.69
LogP ≤ 515.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 158804652) is N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CN1.C[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CN1C.O=C(NC1CC(COCC#CC2CCCCC2)N(C2CC2)C1)c1cc(C2CC2)on1.O=C(NC1CC(COCC#Cc2ccccc2)N(C2CC2)C1)c1cc(C2CC2)on1.O=C(NC1CN(C2CC2)CC1COCC#CC1CCCCC1)c1cc(C2CC2)on1.O=C(NC1CN(C2CC2)CC1COCC#Cc1ccccc1)c1cc(C2CC2)on1.
What is the InChIKey of N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ITXQJKUWQUMILB-OHEKXIMRSA-N. The full InChI is InChI=1S/C24H33N3O3.C24H27N3O3.C24H33N3O3.C24H27N3O3.C13H19N3O2.C12H17N3O2/c2*28-24(21-13-23(30-26-21)18-8-9-18)25-22-15-27(20-10-11-20)14-19(22)16-29-12-4-7-17-5-2-1-3-6-17;2*28-24(22-14-23(30-26-22)18-8-9-18)25-19-13-21(27(15-19)20-10-11-20)16-29-12-4-7-17-5-2-1-3-6-17;1-8-5-10(7-16(8)2)14-13(17)11-6-12(18-15-11)9-3-4-9;1-7-4-9(6-13-7)14-12(16)10-5-11(17-15-10)8-2-3-8/h13,17-20,22H,1-3,5-6,8-12,14-16H2,(H,25,28);1-3,5-6,13,18-20,22H,8-12,14-16H2,(H,25,28);14,17-21H,1-3,5-6,8-13,15-16H2,(H,25,28);1-3,5-6,14,18-21H,8-13,15-16H2,(H,25,28);6,8-10H,3-5,7H2,1-2H3,(H,14,17);5,7-9,13H,2-4,6H2,1H3,(H,14,16)/t;;;;8-,10+;7-,9+/m....00/s1.
What are the key properties of N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 2118.69 g/mol, XLogP of 15.01, 34 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[5-(3-cyclohexylprop-2-ynoxymethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-4-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-cyclopropyl-5-(3-phenylprop-2-ynoxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158804652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).