2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine

C19H20N4O — CID 14199988

IUPAC2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
SMILESCN1OC(c2ccccc2)CC1(Cn1cncn1)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-22-19(13-23-15-20-14-21-23,17-10-6-3-7-11-17)12-18(24-22)16-8-4-2-5-9-16/h2-11,14-15,18H,12-13H2,1H3
InChIKeyXOTAOVSJPFOAMW-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine

2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine (PubChem CID 14199988) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
PubChem CID14199988
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
SMILESCN1OC(c2ccccc2)CC1(Cn1cncn1)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-22-19(13-23-15-20-14-21-23,17-10-6-3-7-11-17)12-18(24-22)16-8-4-2-5-9-16/h2-11,14-15,18H,12-13H2,1H3
InChIKeyXOTAOVSJPFOAMW-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
CID 14200000
5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 14126012
5-[(4-chloro-3-methylphenyl)methyl]-3-(4-chlorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
CID 70421181
1-[(2-phenyl-1,3-dioxol-2-yl)methyl]-1,2,4-triazole
CID 156783536
1-[[3-(4-chlorophenyl)-2-phenyloxiran-2-yl]methyl]-1,2,4-triazole
CID 13232416
1-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95583708
1-[[2-phenyl-4-(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 129132218
2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
CID 155672458
1-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 154564757
(3S,4R)-4-phenyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine
CID 120761845
1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,4-triazole
CID 11460634
1-[[(4S,5R)-5-(2,4-dichlorophenyl)-4-phenyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
CID 3007670

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine?
The IUPAC name of 2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine (CID 14199988) is 2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine.
What is the SMILES notation for 2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine?
The canonical SMILES for 2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine is CN1OC(c2ccccc2)CC1(Cn1cncn1)c1ccccc1.
What is the InChIKey of 2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine?
The InChIKey is XOTAOVSJPFOAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-19(13-23-15-20-14-21-23,17-10-6-3-7-11-17)12-18(24-22)16-8-4-2-5-9-16/h2-11,14-15,18H,12-13H2,1H3.
What are the key properties of 2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine?
2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine has a molecular weight of 320.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine is sourced from PubChem (CID 14199988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).