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

C19H19FN4O — CID 132651862

IUPAC3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
SMILESCc1ccc(Cn2cc(C3OCCN3c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C19H19FN4O/c1-14-2-4-15(5-3-14)12-23-13-18(21-22-23)19-24(10-11-25-19)17-8-6-16(20)7-9-17/h2-9,13,19H,10-12H2,1H3
InChIKeyLFZGDCMANPNYSY-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.31
Rot. Bonds4

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

3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine (PubChem CID 132651862) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
PubChem CID132651862
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
SMILESCc1ccc(Cn2cc(C3OCCN3c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C19H19FN4O/c1-14-2-4-15(5-3-14)12-23-13-18(21-22-23)19-24(10-11-25-19)17-8-6-16(20)7-9-17/h2-9,13,19H,10-12H2,1H3
InChIKeyLFZGDCMANPNYSY-UHFFFAOYSA-N
XLogP3.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.31
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
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132650818
(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 99966628
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
4-[[4-[(2S)-3-(4-fluorophenyl)-1,3-oxazolidin-2-yl]triazol-1-yl]methyl]benzonitrile
CID 99966560
3-(4-methylphenyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1,3-oxazolidine
CID 132658698
(2S)-3-[(4-methylphenyl)methyl]-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966616
2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-(4-ethylphenyl)-1,3-oxazolidine
CID 132655335
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99966302
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99966536
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132653143

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
The IUPAC name of 3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine (CID 132651862) is 3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
The canonical SMILES for 3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine is Cc1ccc(Cn2cc(C3OCCN3c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
The InChIKey is LFZGDCMANPNYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-14-2-4-15(5-3-14)12-23-13-18(21-22-23)19-24(10-11-25-19)17-8-6-16(20)7-9-17/h2-9,13,19H,10-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine has a molecular weight of 338.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine is sourced from PubChem (CID 132651862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).