[1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone

C13H13ClN4O2 — CID 25379234

IUPAC[1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCCO1
InChIInChI=1S/C13H13ClN4O2/c14-11-4-2-10(3-5-11)8-17-9-12(15-16-17)13(19)18-6-1-7-20-18/h2-5,9H,1,6-8H2
InChIKeyIPZNCSOWXBWVCU-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.76
Rot. Bonds3

About [1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone

[1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 25379234) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID25379234
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name[1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCCO1
InChIInChI=1S/C13H13ClN4O2/c14-11-4-2-10(3-5-11)8-17-9-12(15-16-17)13(19)18-6-1-7-20-18/h2-5,9H,1,6-8H2
InChIKeyIPZNCSOWXBWVCU-UHFFFAOYSA-N
XLogP1.76
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone (CID 25379234) is [1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone is O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCCO1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is IPZNCSOWXBWVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-11-4-2-10(3-5-11)8-17-9-12(15-16-17)13(19)18-6-1-7-20-18/h2-5,9H,1,6-8H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
[1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 292.73 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]triazol-4-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 25379234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).