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

C19H20N4O — CID 132650818

IUPAC2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
SMILESCc1ccc(Cn2cc(C3OCCN3c3ccccc3)nn2)cc1
InChIInChI=1S/C19H20N4O/c1-15-7-9-16(10-8-15)13-22-14-18(20-21-22)19-23(11-12-24-19)17-5-3-2-4-6-17/h2-10,14,19H,11-13H2,1H3
InChIKeyMBRSSJJJQCSSGG-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.17
Rot. Bonds4

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

2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine (PubChem CID 132650818) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
PubChem CID132650818
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
SMILESCc1ccc(Cn2cc(C3OCCN3c3ccccc3)nn2)cc1
InChIInChI=1S/C19H20N4O/c1-15-7-9-16(10-8-15)13-22-14-18(20-21-22)19-23(11-12-24-19)17-5-3-2-4-6-17/h2-10,14,19H,11-13H2,1H3
InChIKeyMBRSSJJJQCSSGG-UHFFFAOYSA-N
XLogP3.17
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 132651702
(2R)-2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 99966142
3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 132651862
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99966302
methyl 4-[[4-(3-phenyl-1,3-oxazolidin-2-yl)triazol-1-yl]methyl]benzoate
CID 132654626
(2S)-3-[(4-methylphenyl)methyl]-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966616
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine
CID 132651856
(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine
CID 99966257
2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132658083
2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132652150
3-(4-methylphenyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1,3-oxazolidine
CID 132658698
2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-(4-ethylphenyl)-1,3-oxazolidine
CID 132655335

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine (CID 132650818) is 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine is Cc1ccc(Cn2cc(C3OCCN3c3ccccc3)nn2)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine?
The InChIKey is MBRSSJJJQCSSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15-7-9-16(10-8-15)13-22-14-18(20-21-22)19-23(11-12-24-19)17-5-3-2-4-6-17/h2-10,14,19H,11-13H2,1H3.
What are the key properties of 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine?
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine has a molecular weight of 320.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine is sourced from PubChem (CID 132650818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).