3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine

C19H18ClFN4O — CID 14200000

IUPAC3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
SMILESCN1OC(c2ccc(F)cc2)CC1(Cn1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClFN4O/c1-24-19(11-25-13-22-12-23-25,15-4-6-16(20)7-5-15)10-18(26-24)14-2-8-17(21)9-3-14/h2-9,12-13,18H,10-11H2,1H3
InChIKeyRPCNBXDUGGCVOH-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.97
Rot. Bonds4

About 3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine

3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine (PubChem CID 14200000) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
PubChem CID14200000
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
SMILESCN1OC(c2ccc(F)cc2)CC1(Cn1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClFN4O/c1-24-19(11-25-13-22-12-23-25,15-4-6-16(20)7-5-15)10-18(26-24)14-2-8-17(21)9-3-14/h2-9,12-13,18H,10-11H2,1H3
InChIKeyRPCNBXDUGGCVOH-UHFFFAOYSA-N
XLogP3.97
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine (CID 14200000) is 3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine is CN1OC(c2ccc(F)cc2)CC1(Cn1cncn1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine?
The InChIKey is RPCNBXDUGGCVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c1-24-19(11-25-13-22-12-23-25,15-4-6-16(20)7-5-15)10-18(26-24)14-2-8-17(21)9-3-14/h2-9,12-13,18H,10-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine?
3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine has a molecular weight of 372.83 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine is sourced from PubChem (CID 14200000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).