N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide

C12H17N3O3 — CID 813725

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
SMILESCC(C)N(CC(=O)Nc1ccon1)C(=O)C1CC1
InChIInChI=1S/C12H17N3O3/c1-8(2)15(12(17)9-3-4-9)7-11(16)13-10-5-6-18-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14,16)
InChIKeyTYZKLRLXYBWJNN-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.26
Rot. Bonds5

About N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide (PubChem CID 813725) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
PubChem CID813725
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
SMILESCC(C)N(CC(=O)Nc1ccon1)C(=O)C1CC1
InChIInChI=1S/C12H17N3O3/c1-8(2)15(12(17)9-3-4-9)7-11(16)13-10-5-6-18-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14,16)
InChIKeyTYZKLRLXYBWJNN-UHFFFAOYSA-N
XLogP1.26
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-isoxazol-3-ylbutanamide
CID 17218144
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide
CID 813652
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(isoxazol-3-yl)oxalamide
CID 16886592
N1-(isoxazol-3-yl)-N2-((1-(2-methoxyethyl)piperidin-4-yl)methyl)oxalamide
CID 16886677
N1-((1-cyclopentylpiperidin-4-yl)methyl)-N2-(isoxazol-3-yl)oxalamide
CID 16886762
N-cyclohexyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42663957
N1-(3-ethoxypropyl)-N2-(isoxazol-3-yl)oxalamide
CID 45497333
N1-cyclohexyl-N2-(isoxazol-3-yl)oxalamide
CID 18588593
2-(4-methyl-1,4-diazepan-1-yl)-N-(1,2-oxazol-3-yl)-2-oxoacetamide
CID 136533704
N-(1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 177002452
N-(1,2-oxazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261787
2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)butanamide
CID 130685788

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide (CID 813725) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide is CC(C)N(CC(=O)Nc1ccon1)C(=O)C1CC1.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide?
The InChIKey is TYZKLRLXYBWJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(2)15(12(17)9-3-4-9)7-11(16)13-10-5-6-18-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14,16).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide is sourced from PubChem (CID 813725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).