5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole

C13H15N5O — CID 167955732

IUPAC5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(N3CCCC3)no2)nc(C2CC2)n1
InChIInChI=1S/C13H15N5O/c1-2-8-18(7-1)13-16-12(19-17-13)10-5-6-14-11(15-10)9-3-4-9/h5-6,9H,1-4,7-8H2
InChIKeyOGTOPXLHVZHTGW-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.00
Rot. Bonds3

About 5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole

5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (PubChem CID 167955732) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
PubChem CID167955732
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(N3CCCC3)no2)nc(C2CC2)n1
InChIInChI=1S/C13H15N5O/c1-2-8-18(7-1)13-16-12(19-17-13)10-5-6-14-11(15-10)9-3-4-9/h5-6,9H,1-4,7-8H2
InChIKeyOGTOPXLHVZHTGW-UHFFFAOYSA-N
XLogP2.00
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116808091
1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850752
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116808037
[4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807104
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133298967
4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine
CID 171327094
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10037288
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-6-methylphenol
CID 136994446
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol
CID 136994389
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 116808545

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (CID 167955732) is 5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole is c1cc(-c2nc(N3CCCC3)no2)nc(C2CC2)n1.
What is the InChIKey of 5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The InChIKey is OGTOPXLHVZHTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-8-18(7-1)13-16-12(19-17-13)10-5-6-14-11(15-10)9-3-4-9/h5-6,9H,1-4,7-8H2.
What are the key properties of 5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole has a molecular weight of 257.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167955732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).