5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine

C13H15N5OS — CID 79541902

IUPAC5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
SMILESCCCc1c(N)nnn1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C13H15N5OS/c1-2-4-10-13(14)15-17-18(10)8-9-7-11(19-16-9)12-5-3-6-20-12/h3,5-7H,2,4,8,14H2,1H3
InChIKeyNBHVWWJAPPGMBX-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.58
Rot. Bonds5

About 5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine

5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine (PubChem CID 79541902) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
PubChem CID79541902
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
SMILESCCCc1c(N)nnn1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C13H15N5OS/c1-2-4-10-13(14)15-17-18(10)8-9-7-11(19-16-9)12-5-3-6-20-12/h3,5-7H,2,4,8,14H2,1H3
InChIKeyNBHVWWJAPPGMBX-UHFFFAOYSA-N
XLogP2.58
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine (CID 79541902) is 5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine is CCCc1c(N)nnn1Cc1cc(-c2cccs2)on1.
What is the InChIKey of 5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
The InChIKey is NBHVWWJAPPGMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-2-4-10-13(14)15-17-18(10)8-9-7-11(19-16-9)12-5-3-6-20-12/h3,5-7H,2,4,8,14H2,1H3.
What are the key properties of 5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine has a molecular weight of 289.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79541902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).