1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide

C16H26N4O3 — CID 32687753

IUPAC1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
SMILESCCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H26N4O3/c1-3-4-5-13(16(22)18-14-10-11(2)23-19-14)20-8-6-12(7-9-20)15(17)21/h10,12-13H,3-9H2,1-2H3,(H2,17,21)(H,18,19,22)/t13-/m0/s1
InChIKeyYOEVINKCYDIVPN-ZDUSSCGKSA-N
MW322.41 g/mol
LogP1.68
Rot. Bonds7

About 1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide

1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide (PubChem CID 32687753) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
PubChem CID32687753
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
SMILESCCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H26N4O3/c1-3-4-5-13(16(22)18-14-10-11(2)23-19-14)20-8-6-12(7-9-20)15(17)21/h10,12-13H,3-9H2,1-2H3,(H2,17,21)(H,18,19,22)/t13-/m0/s1
InChIKeyYOEVINKCYDIVPN-ZDUSSCGKSA-N
XLogP1.68
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 111543682
N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
CID 32741538
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]hexanamide
CID 86773310
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 47019529
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 32688103
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47060155
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide
CID 55529585
(2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 95282319
1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 94566097
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 55682492
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide (CID 32687753) is 1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide is CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide?
The InChIKey is YOEVINKCYDIVPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-4-5-13(16(22)18-14-10-11(2)23-19-14)20-8-6-12(7-9-20)15(17)21/h10,12-13H,3-9H2,1-2H3,(H2,17,21)(H,18,19,22)/t13-/m0/s1.
What are the key properties of 1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide?
1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 32687753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).