1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine

C13H22N4O — CID 113491740

IUPAC1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
SMILESCC(C)c1nc(C2(N)CC(C)N(C3CC3)C2)no1
InChIInChI=1S/C13H22N4O/c1-8(2)11-15-12(16-18-11)13(14)6-9(3)17(7-13)10-4-5-10/h8-10H,4-7,14H2,1-3H3
InChIKeyLJKNTYDJNHVCFH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.60
Rot. Bonds3

About 1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine

1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine (PubChem CID 113491740) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
PubChem CID113491740
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
SMILESCC(C)c1nc(C2(N)CC(C)N(C3CC3)C2)no1
InChIInChI=1S/C13H22N4O/c1-8(2)11-15-12(16-18-11)13(14)6-9(3)17(7-13)10-4-5-10/h8-10H,4-7,14H2,1-3H3
InChIKeyLJKNTYDJNHVCFH-UHFFFAOYSA-N
XLogP1.60
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine (CID 113491740) is 1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine is CC(C)c1nc(C2(N)CC(C)N(C3CC3)C2)no1.
What is the InChIKey of 1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine?
The InChIKey is LJKNTYDJNHVCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)11-15-12(16-18-11)13(14)6-9(3)17(7-13)10-4-5-10/h8-10H,4-7,14H2,1-3H3.
What are the key properties of 1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine?
1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 113491740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).