4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide

C20H21N3O4 — CID 46578619

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C20H21N3O4/c1-2-18(24)21-14-7-5-8-15(13-14)22-19(25)11-6-12-23-16-9-3-4-10-17(16)27-20(23)26/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyBQKRVIMRYCTPME-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.36
Rot. Bonds7

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide (PubChem CID 46578619) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
PubChem CID46578619
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C20H21N3O4/c1-2-18(24)21-14-7-5-8-15(13-14)22-19(25)11-6-12-23-16-9-3-4-10-17(16)27-20(23)26/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyBQKRVIMRYCTPME-UHFFFAOYSA-N
XLogP3.36
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
CID 31290190
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 51949462
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822337
ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate
CID 4805932
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4782954
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55817540
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7780086

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide (CID 46578619) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide is CCC(=O)Nc1cccc(NC(=O)CCCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide?
The InChIKey is BQKRVIMRYCTPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-2-18(24)21-14-7-5-8-15(13-14)22-19(25)11-6-12-23-16-9-3-4-10-17(16)27-20(23)26/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide has a molecular weight of 367.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 46578619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).