4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide

C16H20N2O3 — CID 112525589

IUPAC4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2ccc3oc(C)nc3c2)CC1
InChIInChI=1S/C16H20N2O3/c1-10-17-14-9-12(5-8-15(14)21-10)18-16(19)11-3-6-13(20-2)7-4-11/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H,18,19)
InChIKeyINSSLFDKLKLZMQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.28
Rot. Bonds3

About 4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide

4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 112525589) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
PubChem CID112525589
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2ccc3oc(C)nc3c2)CC1
InChIInChI=1S/C16H20N2O3/c1-10-17-14-9-12(5-8-15(14)21-10)18-16(19)11-3-6-13(20-2)7-4-11/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H,18,19)
InChIKeyINSSLFDKLKLZMQ-UHFFFAOYSA-N
XLogP3.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate
CID 75448517
(2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 120631938
N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide
CID 112528197
4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
CID 112526211
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544
4-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672739
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 36671702
N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407
1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 60520234
(3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 38747759
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575
N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
CID 112520991

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide (CID 112525589) is 4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide is COC1CCC(C(=O)Nc2ccc3oc(C)nc3c2)CC1.
What is the InChIKey of 4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is INSSLFDKLKLZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-17-14-9-12(5-8-15(14)21-10)18-16(19)11-3-6-13(20-2)7-4-11/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112525589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).