1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one

C13H18N2O2 — CID 142624762

IUPAC1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one
SMILESCC(C)c1noc(C2CC2)c1N1CCCC1=O
InChIInChI=1S/C13H18N2O2/c1-8(2)11-12(15-7-3-4-10(15)16)13(17-14-11)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyYGGVOTHHHSYHBA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.80
Rot. Bonds3

About 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one

1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one (PubChem CID 142624762) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one
PubChem CID142624762
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one
SMILESCC(C)c1noc(C2CC2)c1N1CCCC1=O
InChIInChI=1S/C13H18N2O2/c1-8(2)11-12(15-7-3-4-10(15)16)13(17-14-11)9-5-6-9/h8-9H,3-7H2,1-2H3
InChIKeyYGGVOTHHHSYHBA-UHFFFAOYSA-N
XLogP2.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one (CID 142624762) is 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one is CC(C)c1noc(C2CC2)c1N1CCCC1=O.
What is the InChIKey of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one?
The InChIKey is YGGVOTHHHSYHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)11-12(15-7-3-4-10(15)16)13(17-14-11)9-5-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one?
1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 142624762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).