4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide

C18H16N2O5 — CID 110607947

IUPAC4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
SMILESCOc1cccc(C(=O)CCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C18H16N2O5/c1-24-13-4-2-3-11(9-13)15(21)6-8-17(22)19-12-5-7-16-14(10-12)20-18(23)25-16/h2-5,7,9-10H,6,8H2,1H3,(H,19,22)(H,20,23)
InChIKeyQTUBLIYVYOHBKY-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.73
Rot. Bonds6

About 4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide

4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide (PubChem CID 110607947) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
PubChem CID110607947
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
SMILESCOc1cccc(C(=O)CCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C18H16N2O5/c1-24-13-4-2-3-11(9-13)15(21)6-8-17(22)19-12-5-7-16-14(10-12)20-18(23)25-16/h2-5,7,9-10H,6,8H2,1H3,(H,19,22)(H,20,23)
InChIKeyQTUBLIYVYOHBKY-UHFFFAOYSA-N
XLogP2.73
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide with MolForge

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Related Compounds

methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37094323
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344771
methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
CID 110424348
N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110426251
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110411850
N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110424715
4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 51089599
2-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 38466500
N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344778

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide (CID 110607947) is 4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide is COc1cccc(C(=O)CCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is QTUBLIYVYOHBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-24-13-4-2-3-11(9-13)15(21)6-8-17(22)19-12-5-7-16-14(10-12)20-18(23)25-16/h2-5,7,9-10H,6,8H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 340.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 110607947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).