N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide

C28H21ClN2O3 — CID 6737667

IUPACN-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
SMILESCc1ccc2nc(-c3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3Cl)oc2c1
InChIInChI=1S/C28H21ClN2O3/c1-18-10-13-25-26(14-18)34-28(31-25)23-16-21(11-12-24(23)29)30-27(32)20-8-5-9-22(15-20)33-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,30,32)
InChIKeyCKNGBLXOGJNGPR-UHFFFAOYSA-N
MW468.94 g/mol
LogP7.29
Rot. Bonds6

About N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide

N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide (PubChem CID 6737667) has the molecular formula C28H21ClN2O3 and a molecular weight of 468.94 g/mol. Its IUPAC name is N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
PubChem CID6737667
Molecular FormulaC28H21ClN2O3
Molecular Weight468.94 g/mol
Exact Mass468.12
IUPAC NameN-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
SMILESCc1ccc2nc(-c3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3Cl)oc2c1
InChIInChI=1S/C28H21ClN2O3/c1-18-10-13-25-26(14-18)34-28(31-25)23-16-21(11-12-24(23)29)30-27(32)20-8-5-9-22(15-20)33-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,30,32)
InChIKeyCKNGBLXOGJNGPR-UHFFFAOYSA-N
XLogP7.29
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.94
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17314513
N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17314516
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 21212623
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 3124109
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide
CID 135625673
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
CID 3125099
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 21211496
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-(phenoxymethyl)benzamide
CID 21213245
5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 17110541
3-butoxy-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3117238
N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17113648

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide (CID 6737667) is N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide is Cc1ccc2nc(-c3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3Cl)oc2c1.
What is the InChIKey of N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide?
The InChIKey is CKNGBLXOGJNGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O3/c1-18-10-13-25-26(14-18)34-28(31-25)23-16-21(11-12-24(23)29)30-27(32)20-8-5-9-22(15-20)33-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,30,32).
What are the key properties of N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide?
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide has a molecular weight of 468.94 g/mol, XLogP of 7.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 6737667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).