3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide

C15H15ClN2O2 — CID 42279145

IUPAC3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
SMILESC[C@@H]1CCc2noc(NC(=O)c3cccc(Cl)c3)c2C1
InChIInChI=1S/C15H15ClN2O2/c1-9-5-6-13-12(7-9)15(20-18-13)17-14(19)10-3-2-4-11(16)8-10/h2-4,8-9H,5-7H2,1H3,(H,17,19)/t9-/m1/s1
InChIKeyOKFYPYBRWYCXRN-SECBINFHSA-N
MW290.75 g/mol
LogP3.71
Rot. Bonds2

About 3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide

3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide (PubChem CID 42279145) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
PubChem CID42279145
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
SMILESC[C@@H]1CCc2noc(NC(=O)c3cccc(Cl)c3)c2C1
InChIInChI=1S/C15H15ClN2O2/c1-9-5-6-13-12(7-9)15(20-18-13)17-14(19)10-3-2-4-11(16)8-10/h2-4,8-9H,5-7H2,1H3,(H,17,19)/t9-/m1/s1
InChIKeyOKFYPYBRWYCXRN-SECBINFHSA-N
XLogP3.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 41062815
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]furan-2-carboxamide
CID 42280243
3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzothiophene-2-carboxamide
CID 35181456
N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide
CID 42279932
5-bromo-3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide
CID 43843020
7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide
CID 35131763
2-(2-methylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 40947683
2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 42279154
3-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284583
2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942469
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942268
propyl (6S)-2-[(3-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7027674

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide (CID 42279145) is 3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide is C[C@@H]1CCc2noc(NC(=O)c3cccc(Cl)c3)c2C1.
What is the InChIKey of 3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide?
The InChIKey is OKFYPYBRWYCXRN-SECBINFHSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-5-6-13-12(7-9)15(20-18-13)17-14(19)10-3-2-4-11(16)8-10/h2-4,8-9H,5-7H2,1H3,(H,17,19)/t9-/m1/s1.
What are the key properties of 3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide?
3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide has a molecular weight of 290.75 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide is sourced from PubChem (CID 42279145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).