3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one

C19H18ClN5O2 — CID 71853627

IUPAC3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1c(NCc2cn(-c3ccc(Cl)cc3)nn2)cccc1N1CCOC1=O
InChIInChI=1S/C19H18ClN5O2/c1-13-17(3-2-4-18(13)24-9-10-27-19(24)26)21-11-15-12-25(23-22-15)16-7-5-14(20)6-8-16/h2-8,12,21H,9-11H2,1H3
InChIKeyYEUZRSOIPYMSDT-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.80
Rot. Bonds5

About 3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one

3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one (PubChem CID 71853627) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one
PubChem CID71853627
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1c(NCc2cn(-c3ccc(Cl)cc3)nn2)cccc1N1CCOC1=O
InChIInChI=1S/C19H18ClN5O2/c1-13-17(3-2-4-18(13)24-9-10-27-19(24)26)21-11-15-12-25(23-22-15)16-7-5-14(20)6-8-16/h2-8,12,21H,9-11H2,1H3
InChIKeyYEUZRSOIPYMSDT-UHFFFAOYSA-N
XLogP3.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one (CID 71853627) is 3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one is Cc1c(NCc2cn(-c3ccc(Cl)cc3)nn2)cccc1N1CCOC1=O.
What is the InChIKey of 3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one?
The InChIKey is YEUZRSOIPYMSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-13-17(3-2-4-18(13)24-9-10-27-19(24)26)21-11-15-12-25(23-22-15)16-7-5-14(20)6-8-16/h2-8,12,21H,9-11H2,1H3.
What are the key properties of 3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one?
3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 383.84 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71853627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).