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

C18H16N2O4 — CID 110608184

IUPAC4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
SMILESCc1ccccc1C(=O)CCC(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C18H16N2O4/c1-11-4-2-3-5-13(11)15(21)8-9-17(22)19-12-6-7-14-16(10-12)24-18(23)20-14/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyUWVGWZDVULDBSZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.03
Rot. Bonds5

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

4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide (PubChem CID 110608184) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
PubChem CID110608184
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
SMILESCc1ccccc1C(=O)CCC(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C18H16N2O4/c1-11-4-2-3-5-13(11)15(21)8-9-17(22)19-12-6-7-14-16(10-12)24-18(23)20-14/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyUWVGWZDVULDBSZ-UHFFFAOYSA-N
XLogP3.03
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide with MolForge

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Related Compounds

methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344771
5-(4-fluorophenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanamide
CID 110616402
N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344752
N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344778
3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616370
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110608142

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The IUPAC name of 4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide (CID 110608184) is 4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide.
What is the SMILES notation for 4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The canonical SMILES for 4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide is Cc1ccccc1C(=O)CCC(=O)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The InChIKey is UWVGWZDVULDBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-4-2-3-5-13(11)15(21)8-9-17(22)19-12-6-7-14-16(10-12)24-18(23)20-14/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide has a molecular weight of 324.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide is sourced from PubChem (CID 110608184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).