3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide

C23H20N4O4 — CID 55504169

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H20N4O4/c28-21(13-14-27-19-11-4-5-12-20(19)31-23(27)30)24-17-9-6-10-18(15-17)26-22(29)25-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,24,28)(H2,25,26,29)
InChIKeyNMAQWQAIGJDMCM-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.27
Rot. Bonds6

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide (PubChem CID 55504169) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
PubChem CID55504169
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H20N4O4/c28-21(13-14-27-19-11-4-5-12-20(19)31-23(27)30)24-17-9-6-10-18(15-17)26-22(29)25-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,24,28)(H2,25,26,29)
InChIKeyNMAQWQAIGJDMCM-UHFFFAOYSA-N
XLogP4.27
TPSA105.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27990480
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559
[2-(3-chloroanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725899
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7580962
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 30684834
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 38682339

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide (CID 55504169) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide is O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide?
The InChIKey is NMAQWQAIGJDMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c28-21(13-14-27-19-11-4-5-12-20(19)31-23(27)30)24-17-9-6-10-18(15-17)26-22(29)25-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,24,28)(H2,25,26,29).
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide has a molecular weight of 416.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 55504169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).