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

C27H20N2O2 — CID 3125064

IUPACN-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
SMILESCc1ccc2nc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)oc2c1
InChIInChI=1S/C27H20N2O2/c1-18-10-15-24-25(16-18)31-27(29-24)22-8-5-9-23(17-22)28-26(30)21-13-11-20(12-14-21)19-6-3-2-4-7-19/h2-17H,1H3,(H,28,30)
InChIKeyMKOHGNHRTVGCFS-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.72
Rot. Bonds4

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

N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide (PubChem CID 3125064) has the molecular formula C27H20N2O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
PubChem CID3125064
Molecular FormulaC27H20N2O2
Molecular Weight404.47 g/mol
Exact Mass404.15
IUPAC NameN-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
SMILESCc1ccc2nc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)oc2c1
InChIInChI=1S/C27H20N2O2/c1-18-10-15-24-25(16-18)31-27(29-24)22-8-5-9-23(17-22)28-26(30)21-13-11-20(12-14-21)19-6-3-2-4-7-19/h2-17H,1H3,(H,28,30)
InChIKeyMKOHGNHRTVGCFS-UHFFFAOYSA-N
XLogP6.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 869599
3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1114227
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 3912982
4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 696909
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 29130005
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 4055823
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-oxo-4-phenylisochromene-3-carboxamide
CID 5170321
2-chloro-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 16740413
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 41148596
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide
CID 7579240
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide (CID 3125064) is N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide is Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)oc2c1.
What is the InChIKey of N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide?
The InChIKey is MKOHGNHRTVGCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O2/c1-18-10-15-24-25(16-18)31-27(29-24)22-8-5-9-23(17-22)28-26(30)21-13-11-20(12-14-21)19-6-3-2-4-7-19/h2-17H,1H3,(H,28,30).
What are the key properties of N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide?
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 3125064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).