N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide

C19H16N2O5 — CID 110344771

IUPACN-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
SMILESCC(=O)c1cccc(NC(=O)CCC(=O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C19H16N2O5/c1-11(22)12-3-2-4-14(9-12)20-18(24)8-7-16(23)13-5-6-15-17(10-13)26-19(25)21-15/h2-6,9-10H,7-8H2,1H3,(H,20,24)(H,21,25)
InChIKeyNXZZKUCYIZSODU-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.93
Rot. Bonds6

About N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide

N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide (PubChem CID 110344771) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
PubChem CID110344771
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
SMILESCC(=O)c1cccc(NC(=O)CCC(=O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C19H16N2O5/c1-11(22)12-3-2-4-14(9-12)20-18(24)8-7-16(23)13-5-6-15-17(10-13)26-19(25)21-15/h2-6,9-10H,7-8H2,1H3,(H,20,24)(H,21,25)
InChIKeyNXZZKUCYIZSODU-UHFFFAOYSA-N
XLogP2.93
TPSA109.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344778
N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344752
4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110607947
4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110608184
methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate
CID 110766421
5-(4-fluorophenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanamide
CID 110616402
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
6-(4,4-dimethylpentanoyl)-3H-1,3-benzoxazol-2-one
CID 114212569
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 38467775
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The IUPAC name of N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide (CID 110344771) is N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The canonical SMILES for N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide is CC(=O)c1cccc(NC(=O)CCC(=O)c2ccc3[nH]c(=O)oc3c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The InChIKey is NXZZKUCYIZSODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-11(22)12-3-2-4-14(9-12)20-18(24)8-7-16(23)13-5-6-15-17(10-13)26-19(25)21-15/h2-6,9-10H,7-8H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide has a molecular weight of 352.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide is sourced from PubChem (CID 110344771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).