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

C13H13N5O2 — CID 62401112

IUPAC[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
SMILESCc1ccc(-c2noc(Cn3cc(CO)nn3)n2)cc1
InChIInChI=1S/C13H13N5O2/c1-9-2-4-10(5-3-9)13-14-12(20-16-13)7-18-6-11(8-19)15-17-18/h2-6,19H,7-8H2,1H3
InChIKeyRMBPTWPWFQFIGQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.18
Rot. Bonds4

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

[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol (PubChem CID 62401112) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is [1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
PubChem CID62401112
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
SMILESCc1ccc(-c2noc(Cn3cc(CO)nn3)n2)cc1
InChIInChI=1S/C13H13N5O2/c1-9-2-4-10(5-3-9)13-14-12(20-16-13)7-18-6-11(8-19)15-17-18/h2-6,19H,7-8H2,1H3
InChIKeyRMBPTWPWFQFIGQ-UHFFFAOYSA-N
XLogP1.18
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62399980
5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 62401990
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carbaldehyde
CID 66215802
10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one
CID 118796680
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62400932
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol
CID 62399582
[1-[[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 107916389
3-[5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921120
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol
CID 62402205
2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol
CID 62401525
N-[[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66193953
[1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458341

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol (CID 62401112) is [1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol is Cc1ccc(-c2noc(Cn3cc(CO)nn3)n2)cc1.
What is the InChIKey of [1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
The InChIKey is RMBPTWPWFQFIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-9-2-4-10(5-3-9)13-14-12(20-16-13)7-18-6-11(8-19)15-17-18/h2-6,19H,7-8H2,1H3.
What are the key properties of [1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol has a molecular weight of 271.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62401112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).