[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

C19H21N3O2 — CID 91915215

IUPAC[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(c2noc(C3CC3)n2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c23-18(19(9-10-19)15-4-2-1-3-5-15)22-11-8-14(12-22)16-20-17(24-21-16)13-6-7-13/h1-5,13-14H,6-12H2
InChIKeyJWDRLMHHRQSXBT-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.99
Rot. Bonds4

About [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 91915215) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID91915215
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(c2noc(C3CC3)n2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c23-18(19(9-10-19)15-4-2-1-3-5-15)22-11-8-14(12-22)16-20-17(24-21-16)13-6-7-13/h1-5,13-14H,6-12H2
InChIKeyJWDRLMHHRQSXBT-UHFFFAOYSA-N
XLogP2.99
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 91915215) is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CCC(c2noc(C3CC3)n2)C1)C1(c2ccccc2)CC1.
What is the InChIKey of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is JWDRLMHHRQSXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(19(9-10-19)15-4-2-1-3-5-15)22-11-8-14(12-22)16-20-17(24-21-16)13-6-7-13/h1-5,13-14H,6-12H2.
What are the key properties of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 323.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 91915215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).