2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol

C14H15N5O2 — CID 66268867

IUPAC2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccc(-c3cnco3)cc2)nn1
InChIInChI=1S/C14H15N5O2/c20-6-5-19-9-13(17-18-19)7-16-12-3-1-11(2-4-12)14-8-15-10-21-14/h1-4,8-10,16,20H,5-7H2
InChIKeyLTGHAXCWKVZTAS-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.54
Rot. Bonds6

About 2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol

2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol (PubChem CID 66268867) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol
PubChem CID66268867
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccc(-c3cnco3)cc2)nn1
InChIInChI=1S/C14H15N5O2/c20-6-5-19-9-13(17-18-19)7-16-12-3-1-11(2-4-12)14-8-15-10-21-14/h1-4,8-10,16,20H,5-7H2
InChIKeyLTGHAXCWKVZTAS-UHFFFAOYSA-N
XLogP1.54
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol (CID 66268867) is 2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol is OCCn1cc(CNc2ccc(-c3cnco3)cc2)nn1.
What is the InChIKey of 2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol?
The InChIKey is LTGHAXCWKVZTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-6-5-19-9-13(17-18-19)7-16-12-3-1-11(2-4-12)14-8-15-10-21-14/h1-4,8-10,16,20H,5-7H2.
What are the key properties of 2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol?
2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol has a molecular weight of 285.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).