3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C10H10N2O3 — CID 825415

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESNC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C10H10N2O3/c11-9(13)5-6-12-7-3-1-2-4-8(7)15-10(12)14/h1-4H,5-6H2,(H2,11,13)
InChIKeyOFQDWONQQAAIFF-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.47
Rot. Bonds3

About 3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 825415) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID825415
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESNC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C10H10N2O3/c11-9(13)5-6-12-7-3-1-2-4-8(7)15-10(12)14/h1-4H,5-6H2,(H2,11,13)
InChIKeyOFQDWONQQAAIFF-UHFFFAOYSA-N
XLogP0.47
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2(3H)-Benzoxazolone
CID 6043
Pardoprunox
CID 6918525
3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester
CID 28445
3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
5-Amino-2,3-dihydro-1,3-benzoxazol-2-one
CID 26856
2-Benzoxazolinone, 3-methyl-
CID 30846
3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
CID 720147
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
3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazole-2(3H)-thione
CID 4572191
2-Benzoxazolinone, 3-allyl-
CID 25999

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 825415) is 3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is NC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is OFQDWONQQAAIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-9(13)5-6-12-7-3-1-2-4-8(7)15-10(12)14/h1-4H,5-6H2,(H2,11,13).
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 206.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 825415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).