N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C28H21N5O3 — CID 24676924

IUPACN-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C28H21N5O3/c34-25(29-23-15-17-24(18-16-23)31-28(35)30-22-9-5-2-6-10-22)19-11-13-21(14-12-19)27-33-32-26(36-27)20-7-3-1-4-8-20/h1-18H,(H,29,34)(H2,30,31,35)
InChIKeyLJQRPGZZHXHGLI-UHFFFAOYSA-N
MW475.51 g/mol
LogP6.30
Rot. Bonds6

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

N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 24676924) has the molecular formula C28H21N5O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID24676924
Molecular FormulaC28H21N5O3
Molecular Weight475.51 g/mol
Exact Mass475.16
IUPAC NameN-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C28H21N5O3/c34-25(29-23-15-17-24(18-16-23)31-28(35)30-22-9-5-2-6-10-22)19-11-13-21(14-12-19)27-33-32-26(36-27)20-7-3-1-4-8-20/h1-18H,(H,29,34)(H2,30,31,35)
InChIKeyLJQRPGZZHXHGLI-UHFFFAOYSA-N
XLogP6.30
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676925
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide
CID 170150882
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438
4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
CID 46387997
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46384296
[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 1105612
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide
CID 163378766

Frequently Asked Questions

What is the IUPAC name of N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 24676924) is N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is LJQRPGZZHXHGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5O3/c34-25(29-23-15-17-24(18-16-23)31-28(35)30-22-9-5-2-6-10-22)19-11-13-21(14-12-19)27-33-32-26(36-27)20-7-3-1-4-8-20/h1-18H,(H,29,34)(H2,30,31,35).
What are the key properties of N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 475.51 g/mol, XLogP of 6.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 24676924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).