(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone

C18H21N3O2 — CID 138024529

IUPAC(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone
SMILESCC1(C)CC(c2ccccc2)CN1C(=O)c1nnc(C2CC2)o1
InChIInChI=1S/C18H21N3O2/c1-18(2)10-14(12-6-4-3-5-7-12)11-21(18)17(22)16-20-19-15(23-16)13-8-9-13/h3-7,13-14H,8-11H2,1-2H3
InChIKeyFQSPNVWLGQABTO-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.36
Rot. Bonds3

About (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone

(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone (PubChem CID 138024529) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone
PubChem CID138024529
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone
SMILESCC1(C)CC(c2ccccc2)CN1C(=O)c1nnc(C2CC2)o1
InChIInChI=1S/C18H21N3O2/c1-18(2)10-14(12-6-4-3-5-7-12)11-21(18)17(22)16-20-19-15(23-16)13-8-9-13/h3-7,13-14H,8-11H2,1-2H3
InChIKeyFQSPNVWLGQABTO-UHFFFAOYSA-N
XLogP3.36
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone (CID 138024529) is (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone is CC1(C)CC(c2ccccc2)CN1C(=O)c1nnc(C2CC2)o1.
What is the InChIKey of (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone?
The InChIKey is FQSPNVWLGQABTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(2)10-14(12-6-4-3-5-7-12)11-21(18)17(22)16-20-19-15(23-16)13-8-9-13/h3-7,13-14H,8-11H2,1-2H3.
What are the key properties of (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone?
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(2,2-dimethyl-4-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 138024529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).