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

C13H13N5O3 — CID 62399980

IUPAC[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
SMILESCOc1ccc(-c2noc(Cn3cc(CO)nn3)n2)cc1
InChIInChI=1S/C13H13N5O3/c1-20-11-4-2-9(3-5-11)13-14-12(21-16-13)7-18-6-10(8-19)15-17-18/h2-6,19H,7-8H2,1H3
InChIKeyNCCDGRXEWQXBNM-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.88
Rot. Bonds5

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

[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol (PubChem CID 62399980) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is [1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
PubChem CID62399980
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
SMILESCOc1ccc(-c2noc(Cn3cc(CO)nn3)n2)cc1
InChIInChI=1S/C13H13N5O3/c1-20-11-4-2-9(3-5-11)13-14-12(21-16-13)7-18-6-10(8-19)15-17-18/h2-6,19H,7-8H2,1H3
InChIKeyNCCDGRXEWQXBNM-UHFFFAOYSA-N
XLogP0.88
TPSA99.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62401112
5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 62401990
[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-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol
CID 30028427
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carbaldehyde
CID 66215802
3-[5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921120
10-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acridin-9-one
CID 118796680
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 957363
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963710
N-[[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66193953

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol (CID 62399980) is [1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol is COc1ccc(-c2noc(Cn3cc(CO)nn3)n2)cc1.
What is the InChIKey of [1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
The InChIKey is NCCDGRXEWQXBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-20-11-4-2-9(3-5-11)13-14-12(21-16-13)7-18-6-10(8-19)15-17-18/h2-6,19H,7-8H2,1H3.
What are the key properties of [1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol?
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol has a molecular weight of 287.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62399980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).