N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C15H15ClN2O2 — CID 17254494

IUPACN-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1noc2c1CCCC2
InChIInChI=1S/C15H15ClN2O2/c16-12-7-3-1-5-10(12)9-17-15(19)14-11-6-2-4-8-13(11)20-18-14/h1,3,5,7H,2,4,6,8-9H2,(H,17,19)
InChIKeyVVXWMPPZJHPAJC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.14
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 17254494) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID17254494
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1noc2c1CCCC2
InChIInChI=1S/C15H15ClN2O2/c16-12-7-3-1-5-10(12)9-17-15(19)14-11-6-2-4-8-13(11)20-18-14/h1,3,5,7H,2,4,6,8-9H2,(H,17,19)
InChIKeyVVXWMPPZJHPAJC-UHFFFAOYSA-N
XLogP3.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 136527258
N-(2-ethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 4053928
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 96530829
N-[(2-chlorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691865
(2S)-2-phenyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)acetic acid
CID 97310654
2-(naphthalen-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)propanoic acid
CID 119245485
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117
(5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056659
N-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 84577709
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 17253368
N-(cyclopropylmethyl)-5-[(2-methylphenyl)methylamino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155875836
N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079103

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 17254494) is N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NCc1ccccc1Cl)c1noc2c1CCCC2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is VVXWMPPZJHPAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-7-3-1-5-10(12)9-17-15(19)14-11-6-2-4-8-13(11)20-18-14/h1,3,5,7H,2,4,6,8-9H2,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 17254494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).