1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine

C14H16N6O — CID 79536842

IUPAC1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H16N6O/c1-2-6-11-13(15)17-19-20(11)9-12-16-14(21-18-12)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9,15H2,1H3
InChIKeyDKPOTAKPLAQCOZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.91
Rot. Bonds5

About 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine

1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine (PubChem CID 79536842) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine
PubChem CID79536842
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H16N6O/c1-2-6-11-13(15)17-19-20(11)9-12-16-14(21-18-12)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9,15H2,1H3
InChIKeyDKPOTAKPLAQCOZ-UHFFFAOYSA-N
XLogP1.91
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-propyltriazol-4-amine
CID 79536608
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 3359504
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542851
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227723
1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine
CID 79542088
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-propyltriazol-4-amine
CID 79536857
3-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 81449374
1-[(3-bromo-5-fluorophenyl)methyl]-5-propyltriazol-4-amine
CID 79711166
3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole
CID 53193142
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine?
The IUPAC name of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine (CID 79536842) is 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine.
What is the SMILES notation for 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine?
The canonical SMILES for 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine is CCCc1c(N)nnn1Cc1noc(-c2ccccc2)n1.
What is the InChIKey of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine?
The InChIKey is DKPOTAKPLAQCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-2-6-11-13(15)17-19-20(11)9-12-16-14(21-18-12)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9,15H2,1H3.
What are the key properties of 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine?
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine has a molecular weight of 284.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-propyltriazol-4-amine is sourced from PubChem (CID 79536842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).