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

C19H19ClN4O2 — CID 99966382

IUPAC(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
SMILESCOc1cccc(N2CCO[C@@H]2c2cn(Cc3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C19H19ClN4O2/c1-25-17-7-3-6-16(11-17)24-8-9-26-19(24)18-13-23(22-21-18)12-14-4-2-5-15(20)10-14/h2-7,10-11,13,19H,8-9,12H2,1H3/t19-/m1/s1
InChIKeyDBYMPKNMFQXDRS-LJQANCHMSA-N
MW370.84 g/mol
LogP3.52
Rot. Bonds5

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

(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine (PubChem CID 99966382) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
PubChem CID99966382
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
SMILESCOc1cccc(N2CCO[C@@H]2c2cn(Cc3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C19H19ClN4O2/c1-25-17-7-3-6-16(11-17)24-8-9-26-19(24)18-13-23(22-21-18)12-14-4-2-5-15(20)10-14/h2-7,10-11,13,19H,8-9,12H2,1H3/t19-/m1/s1
InChIKeyDBYMPKNMFQXDRS-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

(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 99966379
(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 99966709
(2S)-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine
CID 99966479
(2R)-2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 99966142
(2S)-3-(4-methoxyphenyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966483
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
2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132658083
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132650818
methyl 3-[[4-[(2R)-3-(3-methylphenyl)-1,3-oxazolidin-2-yl]triazol-1-yl]methyl]benzoate
CID 99966275
4-[[4-[3-(4-methoxyphenyl)-1,3-oxazolidin-2-yl]triazol-1-yl]methyl]benzonitrile
CID 132654360
2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-(4-ethylphenyl)-1,3-oxazolidine
CID 132655335

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine?
The IUPAC name of (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine (CID 99966382) is (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine?
The canonical SMILES for (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine is COc1cccc(N2CCO[C@@H]2c2cn(Cc3cccc(Cl)c3)nn2)c1.
What is the InChIKey of (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine?
The InChIKey is DBYMPKNMFQXDRS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-25-17-7-3-6-16(11-17)24-8-9-26-19(24)18-13-23(22-21-18)12-14-4-2-5-15(20)10-14/h2-7,10-11,13,19H,8-9,12H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine?
(2R)-2-[1-[(3-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-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine is sourced from PubChem (CID 99966382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).