N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide

C23H26N2O3 — CID 155390103

IUPACN-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCC1CCCCCC1)c1ccc2oc(Cc3ccccc3O)nc2c1
InChIInChI=1S/C23H26N2O3/c26-20-10-6-5-9-17(20)14-22-25-19-13-18(11-12-21(19)28-22)23(27)24-15-16-7-3-1-2-4-8-16/h5-6,9-13,16,26H,1-4,7-8,14-15H2,(H,24,27)
InChIKeyJFZUPJIFPPYSSA-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.82
Rot. Bonds5

About N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide

N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 155390103) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide
PubChem CID155390103
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCC1CCCCCC1)c1ccc2oc(Cc3ccccc3O)nc2c1
InChIInChI=1S/C23H26N2O3/c26-20-10-6-5-9-17(20)14-22-25-19-13-18(11-12-21(19)28-22)23(27)24-15-16-7-3-1-2-4-8-16/h5-6,9-13,16,26H,1-4,7-8,14-15H2,(H,24,27)
InChIKeyJFZUPJIFPPYSSA-UHFFFAOYSA-N
XLogP4.82
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl]-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 25458503
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
2-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1,3-benzoxazole-6-carboxamide
CID 53089368
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
3,4-dichloro-N-[2-[(2-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]benzamide
CID 83289547
N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide
CID 17409199
methyl 1-(2-benzyl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate
CID 24816683
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 100786908
2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide
CID 42122386
N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39212067
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide (CID 155390103) is N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide is O=C(NCC1CCCCCC1)c1ccc2oc(Cc3ccccc3O)nc2c1.
What is the InChIKey of N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is JFZUPJIFPPYSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-20-10-6-5-9-17(20)14-22-25-19-13-18(11-12-21(19)28-22)23(27)24-15-16-7-3-1-2-4-8-16/h5-6,9-13,16,26H,1-4,7-8,14-15H2,(H,24,27).
What are the key properties of N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide?
N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 155390103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).