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

C20H21ClN4O — CID 132655336

IUPAC2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
SMILESCc1cccc(CN2CCOC2c2cn(Cc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C20H21ClN4O/c1-15-3-2-4-17(11-15)12-24-9-10-26-20(24)19-14-25(23-22-19)13-16-5-7-18(21)8-6-16/h2-8,11,14,20H,9-10,12-13H2,1H3
InChIKeyRIPNTTPDSZBUEQ-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.82
Rot. Bonds5

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

2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine (PubChem CID 132655336) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
PubChem CID132655336
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
SMILESCc1cccc(CN2CCOC2c2cn(Cc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C20H21ClN4O/c1-15-3-2-4-17(11-15)12-24-9-10-26-20(24)19-14-25(23-22-19)13-16-5-7-18(21)8-6-16/h2-8,11,14,20H,9-10,12-13H2,1H3
InChIKeyRIPNTTPDSZBUEQ-UHFFFAOYSA-N
XLogP3.82
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[(3-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966663
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132653143
(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99966676
(2R)-2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 99966623
(2R)-3-[(4-methoxyphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966702
2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132664377
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99966667
(2S)-3-[(4-methylphenyl)methyl]-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966616
(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 99966709
(2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966607
(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 99966628
(2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966574

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine (CID 132655336) is 2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine is Cc1cccc(CN2CCOC2c2cn(Cc3ccc(Cl)cc3)nn2)c1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine?
The InChIKey is RIPNTTPDSZBUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-15-3-2-4-17(11-15)12-24-9-10-26-20(24)19-14-25(23-22-19)13-16-5-7-18(21)8-6-16/h2-8,11,14,20H,9-10,12-13H2,1H3.
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine?
2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine has a molecular weight of 368.87 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 132655336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).