N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide

C24H21ClN2O2 — CID 7596290

IUPACN-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide
SMILESCC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)nc2c1
InChIInChI=1S/C24H21ClN2O2/c1-3-15(2)16-10-11-22-21(14-16)27-24(29-22)18-7-5-9-20(13-18)26-23(28)17-6-4-8-19(25)12-17/h4-15H,3H2,1-2H3,(H,26,28)/t15-/m1/s1
InChIKeyWUAWSQXNYLNOFM-OAHLLOKOSA-N
MW404.90 g/mol
LogP6.91
Rot. Bonds5

About N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide

N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide (PubChem CID 7596290) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide
PubChem CID7596290
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide
SMILESCC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)nc2c1
InChIInChI=1S/C24H21ClN2O2/c1-3-15(2)16-10-11-22-21(14-16)27-24(29-22)18-7-5-9-20(13-18)26-23(28)17-6-4-8-19(25)12-17/h4-15H,3H2,1-2H3,(H,26,28)/t15-/m1/s1
InChIKeyWUAWSQXNYLNOFM-OAHLLOKOSA-N
XLogP6.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide
CID 40613949
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethylbenzamide
CID 40615869
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chloro-4-methoxybenzamide
CID 27235945
N-[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5065867
(E)-N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 27235888
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 27235892
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide
CID 40615868
3-bromo-N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 3361312
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 27235913
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]hexanamide
CID 40600443
N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-3-methylbutanamide
CID 40598606
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-methylbenzamide
CID 3923303

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide?
The IUPAC name of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide (CID 7596290) is N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide is CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)nc2c1.
What is the InChIKey of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide?
The InChIKey is WUAWSQXNYLNOFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-3-15(2)16-10-11-22-21(14-16)27-24(29-22)18-7-5-9-20(13-18)26-23(28)17-6-4-8-19(25)12-17/h4-15H,3H2,1-2H3,(H,26,28)/t15-/m1/s1.
What are the key properties of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide?
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide has a molecular weight of 404.90 g/mol, XLogP of 6.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide is sourced from PubChem (CID 7596290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).