N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide

C27H19N3O3 — CID 53356244

IUPACN-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1)c1ccccc1
InChIInChI=1S/C27H19N3O3/c31-25(18-7-3-1-4-8-18)28-21-13-11-20(12-14-21)27-30-23-17-22(15-16-24(23)33-27)29-26(32)19-9-5-2-6-10-19/h1-17H,(H,28,31)(H,29,32)
InChIKeyIZWXFCDVQSEQQS-UHFFFAOYSA-N
MW433.47 g/mol
LogP6.00
Rot. Bonds5

About N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide

N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 53356244) has the molecular formula C27H19N3O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID53356244
Molecular FormulaC27H19N3O3
Molecular Weight433.47 g/mol
Exact Mass433.14
IUPAC NameN-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1)c1ccccc1
InChIInChI=1S/C27H19N3O3/c31-25(18-7-3-1-4-8-18)28-21-13-11-20(12-14-21)27-30-23-17-22(15-16-24(23)33-27)29-26(32)19-9-5-2-6-10-19/h1-17H,(H,28,31)(H,29,32)
InChIKeyIZWXFCDVQSEQQS-UHFFFAOYSA-N
XLogP6.00
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide
CID 2984861
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
CID 15997458
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 19630862

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 53356244) is N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is IZWXFCDVQSEQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O3/c31-25(18-7-3-1-4-8-18)28-21-13-11-20(12-14-21)27-30-23-17-22(15-16-24(23)33-27)29-26(32)19-9-5-2-6-10-19/h1-17H,(H,28,31)(H,29,32).
What are the key properties of N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide?
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 433.47 g/mol, XLogP of 6.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 53356244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).