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

C12H13N5OS — CID 79542827

IUPAC5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C12H13N5OS/c1-2-9-12(13)14-16-17(9)7-8-6-10(18-15-8)11-4-3-5-19-11/h3-6H,2,7,13H2,1H3
InChIKeyNJCAQOUYDIJWFX-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.19
Rot. Bonds4

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

5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine (PubChem CID 79542827) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
PubChem CID79542827
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C12H13N5OS/c1-2-9-12(13)14-16-17(9)7-8-6-10(18-15-8)11-4-3-5-19-11/h3-6H,2,7,13H2,1H3
InChIKeyNJCAQOUYDIJWFX-UHFFFAOYSA-N
XLogP2.19
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine (CID 79542827) is 5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine is CCc1c(N)nnn1Cc1cc(-c2cccs2)on1.
What is the InChIKey of 5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
The InChIKey is NJCAQOUYDIJWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-2-9-12(13)14-16-17(9)7-8-6-10(18-15-8)11-4-3-5-19-11/h3-6H,2,7,13H2,1H3.
What are the key properties of 5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine?
5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine has a molecular weight of 275.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).