N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide

C21H22N2O3 — CID 53089603

IUPACN-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(Cc2nc3ccc(C(=O)NC4CCCC4)cc3o2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-17-9-6-14(7-10-17)12-20-23-18-11-8-15(13-19(18)26-20)21(24)22-16-4-2-3-5-16/h6-11,13,16H,2-5,12H2,1H3,(H,22,24)
InChIKeyGDOGPXDUMUXCQP-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.10
Rot. Bonds5

About N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide

N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 53089603) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID53089603
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(Cc2nc3ccc(C(=O)NC4CCCC4)cc3o2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-17-9-6-14(7-10-17)12-20-23-18-11-8-15(13-19(18)26-20)21(24)22-16-4-2-3-5-16/h6-11,13,16H,2-5,12H2,1H3,(H,22,24)
InChIKeyGDOGPXDUMUXCQP-UHFFFAOYSA-N
XLogP4.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 97270715
2-[(4-methoxyphenyl)methyl]-N-(3-methylsulfanylpropyl)-1,3-benzoxazole-6-carboxamide
CID 25302746
N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089402
2-[(4-methoxyphenyl)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 25478646
2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
CID 71843452
2-[(4-ethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 83970975
[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone
CID 25491297
2-[(4-methoxyphenyl)methyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 72888275
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089373
N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
CID 42094986
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide (CID 53089603) is N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide is COc1ccc(Cc2nc3ccc(C(=O)NC4CCCC4)cc3o2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is GDOGPXDUMUXCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-17-9-6-14(7-10-17)12-20-23-18-11-8-15(13-19(18)26-20)21(24)22-16-4-2-3-5-16/h6-11,13,16H,2-5,12H2,1H3,(H,22,24).
What are the key properties of N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).