2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

C16H14N2O4 — CID 110662124

IUPAC2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C16H14N2O4/c1-10-3-2-4-12(7-10)21-9-15(19)17-11-5-6-13-14(8-11)22-16(20)18-13/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyKOGNSOVZIAOJBC-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.45
Rot. Bonds4

About 2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (PubChem CID 110662124) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
PubChem CID110662124
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C16H14N2O4/c1-10-3-2-4-12(7-10)21-9-15(19)17-11-5-6-13-14(8-11)22-16(20)18-13/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyKOGNSOVZIAOJBC-UHFFFAOYSA-N
XLogP2.45
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662130
2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37094323
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998
2-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 38466500
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-2-(3-methylphenoxy)acetamide
CID 110668350
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide
CID 110721809
N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23472131
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-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23471868

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (CID 110662124) is 2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is Cc1cccc(OCC(=O)Nc2ccc3[nH]c(=O)oc3c2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is KOGNSOVZIAOJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-10-3-2-4-12(7-10)21-9-15(19)17-11-5-6-13-14(8-11)22-16(20)18-13/h2-8H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 298.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 110662124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).