2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole

C19H17Cl2NO2S — CID 11003753

IUPAC2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole
SMILESCSc1ccccc1OCCCc1oc(Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2NO2S/c1-25-17-7-3-2-5-15(17)23-12-4-6-16-18(22-19(21)24-16)13-8-10-14(20)11-9-13/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyCLTYLZHJBDCTMW-UHFFFAOYSA-N
MW394.32 g/mol
LogP6.38
Rot. Bonds7

About 2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole

2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole (PubChem CID 11003753) has the molecular formula C19H17Cl2NO2S and a molecular weight of 394.32 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole
PubChem CID11003753
Molecular FormulaC19H17Cl2NO2S
Molecular Weight394.32 g/mol
Exact Mass393.04
IUPAC Name2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole
SMILESCSc1ccccc1OCCCc1oc(Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2NO2S/c1-25-17-7-3-2-5-15(17)23-12-4-6-16-18(22-19(21)24-16)13-8-10-14(20)11-9-13/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyCLTYLZHJBDCTMW-UHFFFAOYSA-N
XLogP6.38
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.32
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole
CID 10938322
2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole
CID 11111224
4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole
CID 70113738
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride
CID 23431810
4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole
CID 18174764
ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate
CID 11099941
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole
CID 11729789
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(3-phenoxypropyl)-1,3-oxazole
CID 11731968
3-(2-methylsulfanylphenoxy)propan-1-ol
CID 63648478
3-[3-[4-(4-chlorophenyl)-5-propyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide
CID 70979947
ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate
CID 18174694
2-(4-chlorophenyl)-3-methylsulfanylpyridine
CID 19850805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole?
The IUPAC name of 2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole (CID 11003753) is 2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole?
The canonical SMILES for 2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole is CSc1ccccc1OCCCc1oc(Cl)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole?
The InChIKey is CLTYLZHJBDCTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO2S/c1-25-17-7-3-2-5-15(17)23-12-4-6-16-18(22-19(21)24-16)13-8-10-14(20)11-9-13/h2-3,5,7-11H,4,6,12H2,1H3.
What are the key properties of 2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole?
2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole has a molecular weight of 394.32 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole is sourced from PubChem (CID 11003753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).