3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one

C12H19N3O3 — CID 97227134

IUPAC3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn([C@@H]2CCN(C(C)C)C2=O)c(=O)o1
InChIInChI=1S/C12H19N3O3/c1-4-5-10-13-15(12(17)18-10)9-6-7-14(8(2)3)11(9)16/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyLEESHYSBZFBMTM-SECBINFHSA-N
MW253.30 g/mol
LogP0.97
Rot. Bonds4

About 3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one

3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one (PubChem CID 97227134) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
PubChem CID97227134
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn([C@@H]2CCN(C(C)C)C2=O)c(=O)o1
InChIInChI=1S/C12H19N3O3/c1-4-5-10-13-15(12(17)18-10)9-6-7-14(8(2)3)11(9)16/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyLEESHYSBZFBMTM-SECBINFHSA-N
XLogP0.97
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

5-tert-butyl-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-one
CID 75380510
3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one
CID 75381237
3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
CID 97227131
3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one
CID 165482460
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 109412535
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
3-fluoro-1-propan-2-ylpyrrolidin-2-one
CID 45088052
(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 96680803
3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
CID 67806097
3-[4-(2-tert-butyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 155974370
3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one
CID 115672858
(3R)-3-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 97245463

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one (CID 97227134) is 3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one is CCCc1nn([C@@H]2CCN(C(C)C)C2=O)c(=O)o1.
What is the InChIKey of 3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The InChIKey is LEESHYSBZFBMTM-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-5-10-13-15(12(17)18-10)9-6-7-14(8(2)3)11(9)16/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of 3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one has a molecular weight of 253.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 97227134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).