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

C19H19ClN4O2 — CID 99966379

IUPAC(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
SMILESCOc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3Cl)nn2)c1
InChIInChI=1S/C19H19ClN4O2/c1-25-16-7-4-6-15(11-16)24-9-10-26-19(24)18-13-23(22-21-18)12-14-5-2-3-8-17(14)20/h2-8,11,13,19H,9-10,12H2,1H3/t19-/m1/s1
InChIKeyRYJOEXZKCDWZHK-LJQANCHMSA-N
MW370.84 g/mol
LogP3.52
Rot. Bonds5

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

(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine (PubChem CID 99966379) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
PubChem CID99966379
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
SMILESCOc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3Cl)nn2)c1
InChIInChI=1S/C19H19ClN4O2/c1-25-16-7-4-6-15(11-16)24-9-10-26-19(24)18-13-23(22-21-18)12-14-5-2-3-8-17(14)20/h2-8,11,13,19H,9-10,12H2,1H3/t19-/m1/s1
InChIKeyRYJOEXZKCDWZHK-LJQANCHMSA-N
XLogP3.52
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132652150
(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 99966382
(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
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99966667
(2R)-2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 99966142
(2S)-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine
CID 99966479
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132650818
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine?
The IUPAC name of (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine (CID 99966379) is (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine?
The canonical SMILES for (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine is COc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3Cl)nn2)c1.
What is the InChIKey of (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine?
The InChIKey is RYJOEXZKCDWZHK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-25-16-7-4-6-15(11-16)24-9-10-26-19(24)18-13-23(22-21-18)12-14-5-2-3-8-17(14)20/h2-8,11,13,19H,9-10,12H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine?
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine has a molecular weight of 370.84 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine is sourced from PubChem (CID 99966379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).