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

C19H19FN4O — CID 99966257

IUPAC(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine
SMILESCc1cccc(N2CCO[C@@H]2c2cn(Cc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C19H19FN4O/c1-14-3-2-4-17(11-14)24-9-10-25-19(24)18-13-23(22-21-18)12-15-5-7-16(20)8-6-15/h2-8,11,13,19H,9-10,12H2,1H3/t19-/m1/s1
InChIKeyJZAABZZAHCJICM-LJQANCHMSA-N
MW338.39 g/mol
LogP3.31
Rot. Bonds4

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

(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine (PubChem CID 99966257) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine
PubChem CID99966257
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine
SMILESCc1cccc(N2CCO[C@@H]2c2cn(Cc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C19H19FN4O/c1-14-3-2-4-17(11-14)24-9-10-25-19(24)18-13-23(22-21-18)12-15-5-7-16(20)8-6-15/h2-8,11,13,19H,9-10,12H2,1H3/t19-/m1/s1
InChIKeyJZAABZZAHCJICM-LJQANCHMSA-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

2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine
CID 132651856
3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 132651862
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
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132650818
3-(4-methylphenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 132651702
methyl 3-[[4-[(2R)-3-(3-methylphenyl)-1,3-oxazolidin-2-yl]triazol-1-yl]methyl]benzoate
CID 99966275
(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 99966628
4-[[4-[(2S)-3-(4-fluorophenyl)-1,3-oxazolidin-2-yl]triazol-1-yl]methyl]benzonitrile
CID 99966560
(2R)-2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 99966142
(2S)-3-[(3-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966663
(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 99966382

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine?
The IUPAC name of (2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine (CID 99966257) is (2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for (2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine is Cc1cccc(N2CCO[C@@H]2c2cn(Cc3ccc(F)cc3)nn2)c1.
What is the InChIKey of (2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine?
The InChIKey is JZAABZZAHCJICM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-14-3-2-4-17(11-14)24-9-10-25-19(24)18-13-23(22-21-18)12-15-5-7-16(20)8-6-15/h2-8,11,13,19H,9-10,12H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine?
(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-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 (2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(3-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 99966257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).