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

C18H18N2O4 — CID 7479635

IUPACN-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)c(O)c1
InChIInChI=1S/C18H18N2O4/c1-12-8-9-13(15(21)11-12)19-17(22)7-4-10-20-14-5-2-3-6-16(14)24-18(20)23/h2-3,5-6,8-9,11,21H,4,7,10H2,1H3,(H,19,22)
InChIKeyDEKHEVGKSSZYFK-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.03
Rot. Bonds5

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

N-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 7479635) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID7479635
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)c(O)c1
InChIInChI=1S/C18H18N2O4/c1-12-8-9-13(15(21)11-12)19-17(22)7-4-10-20-14-5-2-3-6-16(14)24-18(20)23/h2-3,5-6,8-9,11,21H,4,7,10H2,1H3,(H,19,22)
InChIKeyDEKHEVGKSSZYFK-UHFFFAOYSA-N
XLogP3.03
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 7479635) is N-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is Cc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is DEKHEVGKSSZYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-8-9-13(15(21)11-12)19-17(22)7-4-10-20-14-5-2-3-6-16(14)24-18(20)23/h2-3,5-6,8-9,11,21H,4,7,10H2,1H3,(H,19,22).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 326.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 7479635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).