1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide

C18H22N2O2 — CID 172693263

IUPAC1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(c2cc(Cc3ccccc3)no2)CCCCC1
InChIInChI=1S/C18H22N2O2/c1-19-17(21)18(10-6-3-7-11-18)16-13-15(20-22-16)12-14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,19,21)
InChIKeyBYVLAHPHBPMDAS-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.21
Rot. Bonds4

About 1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide

1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide (PubChem CID 172693263) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide
PubChem CID172693263
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(c2cc(Cc3ccccc3)no2)CCCCC1
InChIInChI=1S/C18H22N2O2/c1-19-17(21)18(10-6-3-7-11-18)16-13-15(20-22-16)12-14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,19,21)
InChIKeyBYVLAHPHBPMDAS-UHFFFAOYSA-N
XLogP3.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide
CID 23063364
3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 42341971
methyl (2S)-2-[(3-benzyl-1,2-oxazole-5-carbonyl)amino]-3-phenylpropanoate
CID 42164387
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
1-[4-[(2,4-dimethylpyrimido[1,2-a]indol-10-yl)methyl]phenyl]-N-methylcyclohexane-1-carboxamide
CID 142102961
1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide
CID 58861860
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylcyclohexane-1-carboxamide
CID 118787223
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide
CID 164543902
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
(3-benzyl-1,2-oxazol-5-yl)-hydroxy-methoxy-methylphosphanium
CID 57312582

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide (CID 172693263) is 1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(c2cc(Cc3ccccc3)no2)CCCCC1.
What is the InChIKey of 1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is BYVLAHPHBPMDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-17(21)18(10-6-3-7-11-18)16-13-15(20-22-16)12-14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,19,21).
What are the key properties of 1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide?
1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,2-oxazol-5-yl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 172693263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).