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

C19H19ClN4O — CID 99966302

IUPAC(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C19H19ClN4O/c1-14-6-8-16(9-7-14)24-10-11-25-19(24)18-13-23(22-21-18)12-15-4-2-3-5-17(15)20/h2-9,13,19H,10-12H2,1H3/t19-/m1/s1
InChIKeySPELYEQRLNYQEM-LJQANCHMSA-N
MW354.84 g/mol
LogP3.82
Rot. Bonds4

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

(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine (PubChem CID 99966302) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine
PubChem CID99966302
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C19H19ClN4O/c1-14-6-8-16(9-7-14)24-10-11-25-19(24)18-13-23(22-21-18)12-15-4-2-3-5-17(15)20/h2-9,13,19H,10-12H2,1H3/t19-/m1/s1
InChIKeySPELYEQRLNYQEM-LJQANCHMSA-N
XLogP3.82
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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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-fluorophenyl)-1,3-oxazolidine
CID 99966536
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
(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
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99966667
(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
(2R)-2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 99966142
3-(4-methylphenyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1,3-oxazolidine
CID 132658698
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-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
The IUPAC name of (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine (CID 99966302) is (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine is Cc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3Cl)nn2)cc1.
What is the InChIKey of (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
The InChIKey is SPELYEQRLNYQEM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-14-6-8-16(9-7-14)24-10-11-25-19(24)18-13-23(22-21-18)12-15-4-2-3-5-17(15)20/h2-9,13,19H,10-12H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine?
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine has a molecular weight of 354.84 g/mol, XLogP of 3.82, 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-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 99966302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).