3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one

C14H16N2O3 — CID 42898184

IUPAC3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
SMILESCC(C(=O)N1CCCC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-10(13(17)15-8-4-5-9-15)16-11-6-2-3-7-12(11)19-14(16)18/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyHHBDHZOMHACUHO-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.78
Rot. Bonds2

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

3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one (PubChem CID 42898184) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
PubChem CID42898184
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
SMILESCC(C(=O)N1CCCC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-10(13(17)15-8-4-5-9-15)16-11-6-2-3-7-12(11)19-14(16)18/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyHHBDHZOMHACUHO-UHFFFAOYSA-N
XLogP1.78
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 18886776
N,N-diethyl-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]-1,4-diazepan-1-yl]acetamide
CID 55642099
3-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 18142226
3-[1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 24681030
3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 55707536
3-[(2R)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propan-2-yl]-1,3-benzoxazol-2-one
CID 51929656
3-[(2S)-1-oxo-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-2-yl]-1,3-benzoxazol-2-one
CID 124752478
3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 95312675
3-[(2S)-1-[4-(4-methylphenyl)-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 96578085
N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide
CID 55932031
3-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 42933319
3-[1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 134036548

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one (CID 42898184) is 3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one is CC(C(=O)N1CCCC1)n1c(=O)oc2ccccc21.
What is the InChIKey of 3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one?
The InChIKey is HHBDHZOMHACUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(13(17)15-8-4-5-9-15)16-11-6-2-3-7-12(11)19-14(16)18/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one?
3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 42898184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).