2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine

C18H17ClN4O — CID 132652150

IUPAC2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
SMILESClc1ccccc1Cn1cc(C2OCCN2c2ccccc2)nn1
InChIInChI=1S/C18H17ClN4O/c19-16-9-5-4-6-14(16)12-22-13-17(20-21-22)18-23(10-11-24-18)15-7-2-1-3-8-15/h1-9,13,18H,10-12H2
InChIKeyAJHJIJVAOGBEAP-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.52
Rot. Bonds4

About 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine

2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine (PubChem CID 132652150) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
PubChem CID132652150
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
SMILESClc1ccccc1Cn1cc(C2OCCN2c2ccccc2)nn1
InChIInChI=1S/C18H17ClN4O/c19-16-9-5-4-6-14(16)12-22-13-17(20-21-22)18-23(10-11-24-18)15-7-2-1-3-8-15/h1-9,13,18H,10-12H2
InChIKeyAJHJIJVAOGBEAP-UHFFFAOYSA-N
XLogP3.52
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine (CID 132652150) is 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine is Clc1ccccc1Cn1cc(C2OCCN2c2ccccc2)nn1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine?
The InChIKey is AJHJIJVAOGBEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-16-9-5-4-6-14(16)12-22-13-17(20-21-22)18-23(10-11-24-18)15-7-2-1-3-8-15/h1-9,13,18H,10-12H2.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine?
2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine has a molecular weight of 340.81 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine is sourced from PubChem (CID 132652150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).