4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide

C22H26N2O3 — CID 7974357

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCC(C)c1ccc(CCNC(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C22H26N2O3/c1-16(2)18-11-9-17(10-12-18)13-14-23-21(25)8-5-15-24-19-6-3-4-7-20(19)27-22(24)26/h3-4,6-7,9-12,16H,5,8,13-15H2,1-2H3,(H,23,25)
InChIKeyZPGMZMPFFQIJKZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.86
Rot. Bonds8

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide (PubChem CID 7974357) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
PubChem CID7974357
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCC(C)c1ccc(CCNC(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C22H26N2O3/c1-16(2)18-11-9-17(10-12-18)13-14-23-21(25)8-5-15-24-19-6-3-4-7-20(19)27-22(24)26/h3-4,6-7,9-12,16H,5,8,13-15H2,1-2H3,(H,23,25)
InChIKeyZPGMZMPFFQIJKZ-UHFFFAOYSA-N
XLogP3.86
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide with MolForge

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Related Compounds

propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
CID 18204942
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
CID 27844689
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 27990436
N-[1-(4-ethylphenyl)-2-methylpropyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18198629
methyl 6-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]hexanoate
CID 9221034
N-(2-benzylsulfanylethyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18195767
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 18110295
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46454589
N-(4-morpholin-4-ylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 47041811
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9389492

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide (CID 7974357) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide is CC(C)c1ccc(CCNC(=O)CCCn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The InChIKey is ZPGMZMPFFQIJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(2)18-11-9-17(10-12-18)13-14-23-21(25)8-5-15-24-19-6-3-4-7-20(19)27-22(24)26/h3-4,6-7,9-12,16H,5,8,13-15H2,1-2H3,(H,23,25).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide has a molecular weight of 366.46 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 7974357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).