[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol

C12H10ClN5O2 — CID 62400932

IUPAC[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2nc(-c3ccccc3Cl)no2)nn1
InChIInChI=1S/C12H10ClN5O2/c13-10-4-2-1-3-9(10)12-14-11(20-16-12)6-18-5-8(7-19)15-17-18/h1-5,19H,6-7H2
InChIKeyBSVKGHUQBXEKAL-UHFFFAOYSA-N
MW291.70 g/mol
LogP1.52
Rot. Bonds4

About [1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol

[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol (PubChem CID 62400932) has the molecular formula C12H10ClN5O2 and a molecular weight of 291.70 g/mol. Its IUPAC name is [1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
PubChem CID62400932
Molecular FormulaC12H10ClN5O2
Molecular Weight291.70 g/mol
Exact Mass291.05
IUPAC Name[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2nc(-c3ccccc3Cl)no2)nn1
InChIInChI=1S/C12H10ClN5O2/c13-10-4-2-1-3-9(10)12-14-11(20-16-12)6-18-5-8(7-19)15-17-18/h1-5,19H,6-7H2
InChIKeyBSVKGHUQBXEKAL-UHFFFAOYSA-N
XLogP1.52
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine
CID 66214422
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62401112
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62399980
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol
CID 62399582
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 107309596
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79529900
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 65250028
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62371397
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
5-[[4-(2-chloroethyl)triazol-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 62401201
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 62401031

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol (CID 62400932) is [1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol is OCc1cn(Cc2nc(-c3ccccc3Cl)no2)nn1.
What is the InChIKey of [1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
The InChIKey is BSVKGHUQBXEKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2/c13-10-4-2-1-3-9(10)12-14-11(20-16-12)6-18-5-8(7-19)15-17-18/h1-5,19H,6-7H2.
What are the key properties of [1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol has a molecular weight of 291.70 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62400932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).