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

C18H16ClFN4O — CID 99966536

IUPAC(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
SMILESFc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C18H16ClFN4O/c19-16-4-2-1-3-13(16)11-23-12-17(21-22-23)18-24(9-10-25-18)15-7-5-14(20)6-8-15/h1-8,12,18H,9-11H2/t18-/m1/s1
InChIKeyOWEBURSFKABRGR-GOSISDBHSA-N
MW358.80 g/mol
LogP3.65
Rot. Bonds4

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

(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine (PubChem CID 99966536) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
PubChem CID99966536
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
SMILESFc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C18H16ClFN4O/c19-16-4-2-1-3-13(16)11-23-12-17(21-22-23)18-24(9-10-25-18)15-7-5-14(20)6-8-15/h1-8,12,18H,9-11H2/t18-/m1/s1
InChIKeyOWEBURSFKABRGR-GOSISDBHSA-N
XLogP3.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132652150
(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-(3-methoxyphenyl)-1,3-oxazolidine
CID 99966379
3-(4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 132651862
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
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
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99966743
2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 132652576
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine?
The IUPAC name of (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine (CID 99966536) is (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine?
The canonical SMILES for (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine is Fc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3Cl)nn2)cc1.
What is the InChIKey of (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine?
The InChIKey is OWEBURSFKABRGR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c19-16-4-2-1-3-13(16)11-23-12-17(21-22-23)18-24(9-10-25-18)15-7-5-14(20)6-8-15/h1-8,12,18H,9-11H2/t18-/m1/s1.
What are the key properties of (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine?
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine has a molecular weight of 358.80 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine is sourced from PubChem (CID 99966536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).