(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one

C16H19N3O2 — CID 93492650

IUPAC(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@@H](c3nc(CC)no3)CC2=O)cc1
InChIInChI=1S/C16H19N3O2/c1-3-11-5-7-13(8-6-11)19-10-12(9-15(19)20)16-17-14(4-2)18-21-16/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyLMDXBXOLIMNTHP-LBPRGKRZSA-N
MW285.35 g/mol
LogP2.71
Rot. Bonds4

About (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one

(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one (PubChem CID 93492650) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
PubChem CID93492650
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@@H](c3nc(CC)no3)CC2=O)cc1
InChIInChI=1S/C16H19N3O2/c1-3-11-5-7-13(8-6-11)19-10-12(9-15(19)20)16-17-14(4-2)18-21-16/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyLMDXBXOLIMNTHP-LBPRGKRZSA-N
XLogP2.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one (CID 93492650) is (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one is CCc1ccc(N2C[C@@H](c3nc(CC)no3)CC2=O)cc1.
What is the InChIKey of (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The InChIKey is LMDXBXOLIMNTHP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-11-5-7-13(8-6-11)19-10-12(9-15(19)20)16-17-14(4-2)18-21-16/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 93492650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).