4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide

C23H20N2O4 — CID 7741918

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c26-22(11-6-16-25-20-9-4-5-10-21(20)29-23(25)27)24-17-12-14-19(15-13-17)28-18-7-2-1-3-8-18/h1-5,7-10,12-15H,6,11,16H2,(H,24,26)
InChIKeySHDAOKZRTQAQKU-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.81
Rot. Bonds7

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide (PubChem CID 7741918) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
PubChem CID7741918
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c26-22(11-6-16-25-20-9-4-5-10-21(20)29-23(25)27)24-17-12-14-19(15-13-17)28-18-7-2-1-3-8-18/h1-5,7-10,12-15H,6,11,16H2,(H,24,26)
InChIKeySHDAOKZRTQAQKU-UHFFFAOYSA-N
XLogP4.81
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate
CID 4805932
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide
CID 43068531
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907341
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24514497
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822337
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 41250658
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-[4-(2-chlorophenoxy)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24529865

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide (CID 7741918) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide is O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide?
The InChIKey is SHDAOKZRTQAQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-22(11-6-16-25-20-9-4-5-10-21(20)29-23(25)27)24-17-12-14-19(15-13-17)28-18-7-2-1-3-8-18/h1-5,7-10,12-15H,6,11,16H2,(H,24,26).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide has a molecular weight of 388.42 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 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-(4-phenoxyphenyl)butanamide is sourced from PubChem (CID 7741918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).