4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C21H15N3O4 — CID 38468547

IUPAC4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1)c1ccccc1
InChIInChI=1S/C21H15N3O4/c25-19(13-4-2-1-3-5-13)22-15-8-6-14(7-9-15)20(26)23-16-10-11-18-17(12-16)24-21(27)28-18/h1-12H,(H,22,25)(H,23,26)(H,24,27)
InChIKeyNBTMZOYSOVRDHY-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.63
Rot. Bonds4

About 4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 38468547) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID38468547
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1)c1ccccc1
InChIInChI=1S/C21H15N3O4/c25-19(13-4-2-1-3-5-13)22-15-8-6-14(7-9-15)20(26)23-16-10-11-18-17(12-16)24-21(27)28-18/h1-12H,(H,22,25)(H,23,26)(H,24,27)
InChIKeyNBTMZOYSOVRDHY-UHFFFAOYSA-N
XLogP3.63
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 38467191
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
1-oxido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridin-1-ium-4-carboxamide
CID 38466723
3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710
3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962
4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 166382068
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 38466452
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide
CID 38465374

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 38468547) is 4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1)c1ccccc1.
What is the InChIKey of 4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is NBTMZOYSOVRDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c25-19(13-4-2-1-3-5-13)22-15-8-6-14(7-9-15)20(26)23-16-10-11-18-17(12-16)24-21(27)28-18/h1-12H,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 373.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 38468547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).