3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole

C15H13N5O — CID 154742790

IUPAC3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
SMILESc1cc(C2(c3noc(-c4cncnc4)n3)CCC2)ccn1
InChIInChI=1S/C15H13N5O/c1-4-15(5-1,12-2-6-16-7-3-12)14-19-13(21-20-14)11-8-17-10-18-9-11/h2-3,6-10H,1,4-5H2
InChIKeyOUHBRKCPFQSKAT-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.39
Rot. Bonds3

About 3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole

3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole (PubChem CID 154742790) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
PubChem CID154742790
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
SMILESc1cc(C2(c3noc(-c4cncnc4)n3)CCC2)ccn1
InChIInChI=1S/C15H13N5O/c1-4-15(5-1,12-2-6-16-7-3-12)14-19-13(21-20-14)11-8-17-10-18-9-11/h2-3,6-10H,1,4-5H2
InChIKeyOUHBRKCPFQSKAT-UHFFFAOYSA-N
XLogP2.39
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154746852
5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154744719
5-[2-(2,2-difluoroethyl)pyrazol-3-yl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 138005536
5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154742824
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione
CID 154744825
4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922588
5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154747137
3-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922589
4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 66779853
5-[4-[1-(5-pyridazin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848643
5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63080018

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole (CID 154742790) is 3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole is c1cc(C2(c3noc(-c4cncnc4)n3)CCC2)ccn1.
What is the InChIKey of 3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole?
The InChIKey is OUHBRKCPFQSKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-4-15(5-1,12-2-6-16-7-3-12)14-19-13(21-20-14)11-8-17-10-18-9-11/h2-3,6-10H,1,4-5H2.
What are the key properties of 3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole?
3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole has a molecular weight of 279.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole is sourced from PubChem (CID 154742790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).