N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C18H26N4O3 — CID 130386475

IUPACN-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC1CCC(C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)C2)CC1
InChIInChI=1S/C18H26N4O3/c19-13-5-3-12(4-6-13)18(24)22-8-7-14(10-22)20-17(23)15-9-16(25-21-15)11-1-2-11/h9,11-14H,1-8,10,19H2,(H,20,23)
InChIKeyFKXGPCPILDHPNA-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.40
Rot. Bonds4

About N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 130386475) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID130386475
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC1CCC(C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)C2)CC1
InChIInChI=1S/C18H26N4O3/c19-13-5-3-12(4-6-13)18(24)22-8-7-14(10-22)20-17(23)15-9-16(25-21-15)11-1-2-11/h9,11-14H,1-8,10,19H2,(H,20,23)
InChIKeyFKXGPCPILDHPNA-UHFFFAOYSA-N
XLogP1.40
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386473
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 171338035
5-cyclopropyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040372
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
N-[(3R)-1-cyclohexylpiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124863950
N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040477
5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 124612300
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386458
ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate
CID 145040505
3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 110866994
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 118947233

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 130386475) is N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is NC1CCC(C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)C2)CC1.
What is the InChIKey of N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is FKXGPCPILDHPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-13-5-3-12(4-6-13)18(24)22-8-7-14(10-22)20-17(23)15-9-16(25-21-15)11-1-2-11/h9,11-14H,1-8,10,19H2,(H,20,23).
What are the key properties of N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).