5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole

C23H22Cl2F3NO3S — CID 146520560

IUPAC5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole
SMILESCSc1ncoc1COc1ccc(C(C)(C)c2cc(Cl)c(OCCC(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C23H22Cl2F3NO3S/c1-22(2,15-10-17(24)20(18(25)11-15)30-9-8-23(26,27)28)14-4-6-16(7-5-14)31-12-19-21(33-3)29-13-32-19/h4-7,10-11,13H,8-9,12H2,1-3H3
InChIKeyUBTVXRTTXSKSBO-UHFFFAOYSA-N
MW520.40 g/mol
LogP7.94
Rot. Bonds9

About 5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole

5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole (PubChem CID 146520560) has the molecular formula C23H22Cl2F3NO3S and a molecular weight of 520.40 g/mol. Its IUPAC name is 5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Name5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole
PubChem CID146520560
Molecular FormulaC23H22Cl2F3NO3S
Molecular Weight520.40 g/mol
Exact Mass519.06
IUPAC Name5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole
SMILESCSc1ncoc1COc1ccc(C(C)(C)c2cc(Cl)c(OCCC(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C23H22Cl2F3NO3S/c1-22(2,15-10-17(24)20(18(25)11-15)30-9-8-23(26,27)28)14-4-6-16(7-5-14)31-12-19-21(33-3)29-13-32-19/h4-7,10-11,13H,8-9,12H2,1-3H3
InChIKeyUBTVXRTTXSKSBO-UHFFFAOYSA-N
XLogP7.94
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.40
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-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-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole?
The IUPAC name of 5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole (CID 146520560) is 5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole.
What is the SMILES notation for 5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole?
The canonical SMILES for 5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole is CSc1ncoc1COc1ccc(C(C)(C)c2cc(Cl)c(OCCC(F)(F)F)c(Cl)c2)cc1.
What is the InChIKey of 5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole?
The InChIKey is UBTVXRTTXSKSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2F3NO3S/c1-22(2,15-10-17(24)20(18(25)11-15)30-9-8-23(26,27)28)14-4-6-16(7-5-14)31-12-19-21(33-3)29-13-32-19/h4-7,10-11,13H,8-9,12H2,1-3H3.
What are the key properties of 5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole?
5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole has a molecular weight of 520.40 g/mol, XLogP of 7.94, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfanyl-1,3-oxazole is sourced from PubChem (CID 146520560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).