5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole

C15H13ClN4OS — CID 175693994

IUPAC5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole
SMILESCCc1ncnc(SCc2ncc(-c3cccc(Cl)c3)o2)n1
InChIInChI=1S/C15H13ClN4OS/c1-2-13-18-9-19-15(20-13)22-8-14-17-7-12(21-14)10-4-3-5-11(16)6-10/h3-7,9H,2,8H2,1H3
InChIKeyRPIQZIHIPMOTPU-UHFFFAOYSA-N
MW332.82 g/mol
LogP4.03
Rot. Bonds5

About 5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole

5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 175693994) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID175693994
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC Name5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole
SMILESCCc1ncnc(SCc2ncc(-c3cccc(Cl)c3)o2)n1
InChIInChI=1S/C15H13ClN4OS/c1-2-13-18-9-19-15(20-13)22-8-14-17-7-12(21-14)10-4-3-5-11(16)6-10/h3-7,9H,2,8H2,1H3
InChIKeyRPIQZIHIPMOTPU-UHFFFAOYSA-N
XLogP4.03
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole (CID 175693994) is 5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole is CCc1ncnc(SCc2ncc(-c3cccc(Cl)c3)o2)n1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is RPIQZIHIPMOTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-2-13-18-9-19-15(20-13)22-8-14-17-7-12(21-14)10-4-3-5-11(16)6-10/h3-7,9H,2,8H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole?
5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 332.82 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-[(4-ethyl-1,3,5-triazin-2-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 175693994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).