5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole

C20H16ClFN2OS — CID 16746128

IUPAC5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C1(C)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C20H16ClFN2OS/c1-12-18(26-19(23-12)13-6-8-15(21)9-7-13)20(2)11-17(24-25-20)14-4-3-5-16(22)10-14/h3-10H,11H2,1-2H3
InChIKeyRTHUBEBPNXGEJZ-UHFFFAOYSA-N
MW386.88 g/mol
LogP5.95
Rot. Bonds3

About 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole

5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole (PubChem CID 16746128) has the molecular formula C20H16ClFN2OS and a molecular weight of 386.88 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole
PubChem CID16746128
Molecular FormulaC20H16ClFN2OS
Molecular Weight386.88 g/mol
Exact Mass386.07
IUPAC Name5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C1(C)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C20H16ClFN2OS/c1-12-18(26-19(23-12)13-6-8-15(21)9-7-13)20(2)11-17(24-25-20)14-4-3-5-16(22)10-14/h3-10H,11H2,1-2H3
InChIKeyRTHUBEBPNXGEJZ-UHFFFAOYSA-N
XLogP5.95
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole?
The IUPAC name of 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole (CID 16746128) is 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole?
The canonical SMILES for 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole is Cc1nc(-c2ccc(Cl)cc2)sc1C1(C)CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole?
The InChIKey is RTHUBEBPNXGEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2OS/c1-12-18(26-19(23-12)13-6-8-15(21)9-7-13)20(2)11-17(24-25-20)14-4-3-5-16(22)10-14/h3-10H,11H2,1-2H3.
What are the key properties of 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole?
5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole has a molecular weight of 386.88 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole is sourced from PubChem (CID 16746128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).