3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one

C13H14N2O3 — CID 2995774

IUPAC3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCCC1
InChIInChI=1S/C13H14N2O3/c16-12(14-7-3-4-8-14)9-15-10-5-1-2-6-11(10)18-13(15)17/h1-2,5-6H,3-4,7-9H2
InChIKeyDUWZTEDZUGRICF-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.22
Rot. Bonds2

About 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one

3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one (PubChem CID 2995774) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one
PubChem CID2995774
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCCC1
InChIInChI=1S/C13H14N2O3/c16-12(14-7-3-4-8-14)9-15-10-5-1-2-6-11(10)18-13(15)17/h1-2,5-6H,3-4,7-9H2
InChIKeyDUWZTEDZUGRICF-UHFFFAOYSA-N
XLogP1.22
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pardoprunox
CID 6918525
3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester
CID 28445
3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
2-Benzoxazolinone, 3-methyl-
CID 30846
3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
CID 720147
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
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
2-Benzoxazolinone, 3-allyl-
CID 25999
3-Acetyl-2(3H)-benzoxazolone
CID 32752
2(3H)-Benzoxazolone, 3-ethyl-
CID 35453

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one (CID 2995774) is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2ccccc21)N1CCCC1.
What is the InChIKey of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one?
The InChIKey is DUWZTEDZUGRICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12(14-7-3-4-8-14)9-15-10-5-1-2-6-11(10)18-13(15)17/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one?
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one has a molecular weight of 246.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 2995774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).