N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide

C28H21ClN2O3 — CID 21212623

IUPACN-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
SMILESCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(OCc5ccccc5)c4)c3)nc2c1
InChIInChI=1S/C28H21ClN2O3/c1-18-10-13-26-25(14-18)31-28(34-26)21-11-12-23(29)24(16-21)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)
InChIKeyVRINSCMWZZFUIA-UHFFFAOYSA-N
MW468.94 g/mol
LogP7.29
Rot. Bonds6

About N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide

N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide (PubChem CID 21212623) has the molecular formula C28H21ClN2O3 and a molecular weight of 468.94 g/mol. Its IUPAC name is N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
PubChem CID21212623
Molecular FormulaC28H21ClN2O3
Molecular Weight468.94 g/mol
Exact Mass468.12
IUPAC NameN-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
SMILESCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(OCc5ccccc5)c4)c3)nc2c1
InChIInChI=1S/C28H21ClN2O3/c1-18-10-13-26-25(14-18)31-28(34-26)21-11-12-23(29)24(16-21)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)
InChIKeyVRINSCMWZZFUIA-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-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-phenylmethoxybenzamide
CID 4998926
N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17113600
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 17110524
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 3646973
N-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17314513
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 6737667
3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 2911706
N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17113648
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23961409
N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 23855856
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-ethoxybenzamide
CID 3285885
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-propan-2-yloxybenzamide
CID 3125092

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide (CID 21212623) is N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide is Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(OCc5ccccc5)c4)c3)nc2c1.
What is the InChIKey of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide?
The InChIKey is VRINSCMWZZFUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O3/c1-18-10-13-26-25(14-18)31-28(34-26)21-11-12-23(29)24(16-21)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-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide?
N-[2-chloro-5-(5-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-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 21212623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).