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

C20H21ClN4O2 — CID 99966709

IUPAC(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
SMILESCOc1ccc(CN2CCO[C@@H]2c2cn(Cc3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C20H21ClN4O2/c1-26-18-7-5-15(6-8-18)12-24-9-10-27-20(24)19-14-25(23-22-19)13-16-3-2-4-17(21)11-16/h2-8,11,14,20H,9-10,12-13H2,1H3/t20-/m1/s1
InChIKeyCKKRETTZXWHBNU-HXUWFJFHSA-N
MW384.87 g/mol
LogP3.52
Rot. Bonds6

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

(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine (PubChem CID 99966709) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
PubChem CID99966709
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
SMILESCOc1ccc(CN2CCO[C@@H]2c2cn(Cc3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C20H21ClN4O2/c1-26-18-7-5-15(6-8-18)12-24-9-10-27-20(24)19-14-25(23-22-19)13-16-3-2-4-17(21)11-16/h2-8,11,14,20H,9-10,12-13H2,1H3/t20-/m1/s1
InChIKeyCKKRETTZXWHBNU-HXUWFJFHSA-N
XLogP3.52
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-[(4-methoxyphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966702
2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132655336
(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 99966382
(2S)-3-[(3-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966663
(2R)-2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 99966623
(2S)-3-[(4-methylphenyl)methyl]-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966616
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
(2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966607
2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132664377
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99966667
(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 99966628

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine?
The IUPAC name of (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine (CID 99966709) is (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine?
The canonical SMILES for (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine is COc1ccc(CN2CCO[C@@H]2c2cn(Cc3cccc(Cl)c3)nn2)cc1.
What is the InChIKey of (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine?
The InChIKey is CKKRETTZXWHBNU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-26-18-7-5-15(6-8-18)12-24-9-10-27-20(24)19-14-25(23-22-19)13-16-3-2-4-17(21)11-16/h2-8,11,14,20H,9-10,12-13H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine?
(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine has a molecular weight of 384.87 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 99966709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).