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

C16H14N2O4 — CID 752591

IUPACN-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H14N2O4/c1-21-13-8-4-2-6-11(13)17-15(19)10-18-12-7-3-5-9-14(12)22-16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKeyRKDDDYLOHSKGGL-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.24
Rot. Bonds4

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

N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 752591) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID752591
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H14N2O4/c1-21-13-8-4-2-6-11(13)17-15(19)10-18-12-7-3-5-9-14(12)22-16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKeyRKDDDYLOHSKGGL-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

Pardoprunox
CID 6918525
3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
2-Benzoxazolinone, 3-methyl-
CID 30846
1-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369416
Benzimidazolone scaffold, 15f
CID 23369421
1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369450
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
CID 825415
2-(5-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-methyl-N-phenylacetamide
CID 23153762
tert-butyl N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}carbamate
CID 57420188
tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
CID 58765508
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 752591) is N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is RKDDDYLOHSKGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-13-8-4-2-6-11(13)17-15(19)10-18-12-7-3-5-9-14(12)22-16(18)20/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2-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-(2-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 752591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).