3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

C14H22N4O2 — CID 91905606

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C14H22N4O2/c1-9(2)7-15-14(19)18-6-5-11(8-18)12-16-13(20-17-12)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,15,19)
InChIKeyDTFZRUXVNJREPN-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.10
Rot. Bonds4

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 91905606) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID91905606
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C14H22N4O2/c1-9(2)7-15-14(19)18-6-5-11(8-18)12-16-13(20-17-12)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,15,19)
InChIKeyDTFZRUXVNJREPN-UHFFFAOYSA-N
XLogP2.10
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
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)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 91905606) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is CC(C)CNC(=O)N1CCC(c2noc(C3CC3)n2)C1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is DTFZRUXVNJREPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)7-15-14(19)18-6-5-11(8-18)12-16-13(20-17-12)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,15,19).
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 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)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91905606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).