2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C16H14N2O4 — CID 37093998

IUPAC2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H14N2O4/c1-10-2-5-12(6-3-10)21-9-15(19)17-11-4-7-14-13(8-11)18-16(20)22-14/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeySSDPXXAKOHFZJN-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.45
Rot. Bonds4

About 2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 37093998) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID37093998
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H14N2O4/c1-10-2-5-12(6-3-10)21-9-15(19)17-11-4-7-14-13(8-11)18-16(20)22-14/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeySSDPXXAKOHFZJN-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-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37094344
2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37094323
2-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 38466500
2-(4-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662130
2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662124
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 134019686
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 110724326
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467305
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 37093998) is 2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is Cc1ccc(OCC(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is SSDPXXAKOHFZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-10-2-5-12(6-3-10)21-9-15(19)17-11-4-7-14-13(8-11)18-16(20)22-14/h2-8H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-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-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 37093998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).