3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol

C14H16N6O2 — CID 82211677

IUPAC3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol
SMILESCc1ccc(-c2noc(-c3nnn(CCCO)c3N)n2)cc1
InChIInChI=1S/C14H16N6O2/c1-9-3-5-10(6-4-9)13-16-14(22-18-13)11-12(15)20(19-17-11)7-2-8-21/h3-6,21H,2,7-8,15H2,1H3
InChIKeyUNJSTCWAGJCODT-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.27
Rot. Bonds5

About 3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol

3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol (PubChem CID 82211677) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol
PubChem CID82211677
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol
SMILESCc1ccc(-c2noc(-c3nnn(CCCO)c3N)n2)cc1
InChIInChI=1S/C14H16N6O2/c1-9-3-5-10(6-4-9)13-16-14(22-18-13)11-12(15)20(19-17-11)7-2-8-21/h3-6,21H,2,7-8,15H2,1H3
InChIKeyUNJSTCWAGJCODT-UHFFFAOYSA-N
XLogP1.27
TPSA115.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 82207947
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 20904427
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methylpropyl)triazol-4-amine
CID 94944820
3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 94943137
methyl 2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetate
CID 82202834
2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]-N-phenylacetamide
CID 15988295
3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 17015661
[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59204295
5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50838187
3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904364
3-(3-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904392
3-(3-chloro-2-methylphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 18591826

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol (CID 82211677) is 3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol is Cc1ccc(-c2noc(-c3nnn(CCCO)c3N)n2)cc1.
What is the InChIKey of 3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol?
The InChIKey is UNJSTCWAGJCODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-9-3-5-10(6-4-9)13-16-14(22-18-13)11-12(15)20(19-17-11)7-2-8-21/h3-6,21H,2,7-8,15H2,1H3.
What are the key properties of 3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol?
3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol has a molecular weight of 300.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 82211677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).