(4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

C18H21N3O2 — CID 51894132

IUPAC(4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESCC(C)c1noc([C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)n1
InChIInChI=1S/C18H21N3O2/c1-11(2)17-19-18(23-20-17)14-9-16(22)21(10-14)15-7-6-12-4-3-5-13(12)8-15/h6-8,11,14H,3-5,9-10H2,1-2H3/t14-/m0/s1
InChIKeyVUDIBXPOGAPCNL-AWEZNQCLSA-N
MW311.39 g/mol
LogP3.20
Rot. Bonds3

About (4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

(4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 51894132) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID51894132
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESCC(C)c1noc([C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)n1
InChIInChI=1S/C18H21N3O2/c1-11(2)17-19-18(23-20-17)14-9-16(22)21(10-14)15-7-6-12-4-3-5-13(12)8-15/h6-8,11,14H,3-5,9-10H2,1-2H3/t14-/m0/s1
InChIKeyVUDIBXPOGAPCNL-AWEZNQCLSA-N
XLogP3.20
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 51894132) is (4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is CC(C)c1noc([C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)n1.
What is the InChIKey of (4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is VUDIBXPOGAPCNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11(2)17-19-18(23-20-17)14-9-16(22)21(10-14)15-7-6-12-4-3-5-13(12)8-15/h6-8,11,14H,3-5,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
(4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 311.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 51894132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).