N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C18H25N3O3 — CID 124738321

IUPACN-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H25N3O3/c22-17(15-11-16(24-20-15)12-8-9-12)19-14-7-4-10-21(18(14)23)13-5-2-1-3-6-13/h11-14H,1-10H2,(H,19,22)/t14-/m0/s1
InChIKeyQSOCNCTYHNLSLY-AWEZNQCLSA-N
MW331.42 g/mol
LogP2.61
Rot. Bonds4

About N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 124738321) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID124738321
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H25N3O3/c22-17(15-11-16(24-20-15)12-8-9-12)19-14-7-4-10-21(18(14)23)13-5-2-1-3-6-13/h11-14H,1-10H2,(H,19,22)/t14-/m0/s1
InChIKeyQSOCNCTYHNLSLY-AWEZNQCLSA-N
XLogP2.61
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124738558
N-[(3R)-1-cyclohexylpiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124863950
5-cyclopropyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386254
5-bromo-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 146107608
5-cyclopropyl-N-(1,2-dimethylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130188089
N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395230
N-(1-cyclopentyl-4-methylpyrrolidin-3-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386267
5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 124612300
5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395199
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992
5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395206
N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119612272

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 124738321) is N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is QSOCNCTYHNLSLY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17(15-11-16(24-20-15)12-8-9-12)19-14-7-4-10-21(18(14)23)13-5-2-1-3-6-13/h11-14H,1-10H2,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124738321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).