N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C16H14N2O4 — CID 775853

IUPACN-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C16H14N2O4/c1-21-12-6-4-5-11(9-12)17-15(19)10-18-13-7-2-3-8-14(13)22-16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKeyHCBJXCRXCOETAW-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.24
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 775853) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID775853
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C16H14N2O4/c1-21-12-6-4-5-11(9-12)17-15(19)10-18-13-7-2-3-8-14(13)22-16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKeyHCBJXCRXCOETAW-UHFFFAOYSA-N
XLogP2.24
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Radiprodil
CID 10200813
3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
CID 825415
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}acetamide
CID 16656789
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 57606427
2-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 57606583
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
N-(4-chlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 890994
3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
CID 2995774
2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-acetamide
CID 10134304
4-Morpholineacetamide, N-(3-methoxyphenyl)-
CID 218187

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 775853) is N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is HCBJXCRXCOETAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-12-6-4-5-11(9-12)17-15(19)10-18-13-7-2-3-8-14(13)22-16(18)20/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 298.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 775853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).