5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole

C14H14N4O — CID 155951249

IUPAC5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc2cn[nH]c2cc1Cc1noc(C2CCC2)n1
InChIInChI=1S/C14H14N4O/c1-2-10(3-1)14-16-13(18-19-14)7-9-4-5-11-8-15-17-12(11)6-9/h4-6,8,10H,1-3,7H2,(H,15,17)
InChIKeyNMNPOVGLTUAPSQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.80
Rot. Bonds3

About 5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole

5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole (PubChem CID 155951249) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole
PubChem CID155951249
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc2cn[nH]c2cc1Cc1noc(C2CCC2)n1
InChIInChI=1S/C14H14N4O/c1-2-10(3-1)14-16-13(18-19-14)7-9-4-5-11-8-15-17-12(11)6-9/h4-6,8,10H,1-3,7H2,(H,15,17)
InChIKeyNMNPOVGLTUAPSQ-UHFFFAOYSA-N
XLogP2.80
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 138992195
1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 166233781
3-(1H-indazol-6-ylmethyl)-5-(4-methoxy-1-methylcyclohexyl)-1,2,4-oxadiazole
CID 126804082
5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 79316233
5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
CID 79316805
6-(pyridin-3-ylmethyl)-1H-indazole
CID 174925312
3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911769
4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 55201043
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349298
3-[(3,4-dimethoxyphenyl)methyl]-5-(4,5,6,7-tetrahydro-1H-indazol-4-yl)-1,2,4-oxadiazole
CID 122143315
4-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 55203544
5-(1H-indazol-6-ylmethyl)-3-piperidin-3-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 166237342

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole (CID 155951249) is 5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole is c1cc2cn[nH]c2cc1Cc1noc(C2CCC2)n1.
What is the InChIKey of 5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is NMNPOVGLTUAPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-10(3-1)14-16-13(18-19-14)7-9-4-5-11-8-15-17-12(11)6-9/h4-6,8,10H,1-3,7H2,(H,15,17).
What are the key properties of 5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole?
5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155951249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).