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

C14H13ClN4O2 — CID 62400785

IUPAC2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ncc(-c3cccc(Cl)c3)o2)nn1
InChIInChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)13-7-16-14(21-13)9-19-8-12(4-5-20)17-18-19/h1-3,6-8,20H,4-5,9H2
InChIKeyDIHBCUXHKBHZIL-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.17
Rot. Bonds5

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

2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol (PubChem CID 62400785) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol
PubChem CID62400785
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ncc(-c3cccc(Cl)c3)o2)nn1
InChIInChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)13-7-16-14(21-13)9-19-8-12(4-5-20)17-18-19/h1-3,6-8,20H,4-5,9H2
InChIKeyDIHBCUXHKBHZIL-UHFFFAOYSA-N
XLogP2.17
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol (CID 62400785) is 2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol is OCCc1cn(Cc2ncc(-c3cccc(Cl)c3)o2)nn1.
What is the InChIKey of 2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is DIHBCUXHKBHZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)13-7-16-14(21-13)9-19-8-12(4-5-20)17-18-19/h1-3,6-8,20H,4-5,9H2.
What are the key properties of 2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol?
2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 304.74 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62400785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).