3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole

C15H14N4O2 — CID 146512137

IUPAC3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Cc3nc(C4CC4)no3)cc2)no1
InChIInChI=1S/C15H14N4O2/c1-9-16-14(18-20-9)11-4-2-10(3-5-11)8-13-17-15(19-21-13)12-6-7-12/h2-5,12H,6-8H2,1H3
InChIKeyOLSGIHGRLRGLGY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.90
Rot. Bonds4

About 3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole (PubChem CID 146512137) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole
PubChem CID146512137
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Cc3nc(C4CC4)no3)cc2)no1
InChIInChI=1S/C15H14N4O2/c1-9-16-14(18-20-9)11-4-2-10(3-5-11)8-13-17-15(19-21-13)12-6-7-12/h2-5,12H,6-8H2,1H3
InChIKeyOLSGIHGRLRGLGY-UHFFFAOYSA-N
XLogP2.90
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63851274
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 55258328
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400
N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 50769325
3-(1-pentan-3-ylpiperidin-4-yl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 68805841
5-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075347
5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 91828517
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
CID 170867952
5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 11681282
5-[(4-methylphenyl)methyl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035927

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole (CID 146512137) is 3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(Cc3nc(C4CC4)no3)cc2)no1.
What is the InChIKey of 3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole?
The InChIKey is OLSGIHGRLRGLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-16-14(18-20-9)11-4-2-10(3-5-11)8-13-17-15(19-21-13)12-6-7-12/h2-5,12H,6-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole has a molecular weight of 282.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146512137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).