[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

C19H13Cl2NO2S — CID 18953307

IUPAC[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Sc1cccc(Cl)c1)c1cnoc1C1CC1
InChIInChI=1S/C19H13Cl2NO2S/c20-12-2-1-3-14(8-12)25-17-9-13(21)6-7-15(17)18(23)16-10-22-24-19(16)11-4-5-11/h1-3,6-11H,4-5H2
InChIKeyUUOLBTVVMMZDRP-UHFFFAOYSA-N
MW390.29 g/mol
LogP6.24
Rot. Bonds5

About [4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (PubChem CID 18953307) has the molecular formula C19H13Cl2NO2S and a molecular weight of 390.29 g/mol. Its IUPAC name is [4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
PubChem CID18953307
Molecular FormulaC19H13Cl2NO2S
Molecular Weight390.29 g/mol
Exact Mass389.00
IUPAC Name[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Sc1cccc(Cl)c1)c1cnoc1C1CC1
InChIInChI=1S/C19H13Cl2NO2S/c20-12-2-1-3-14(8-12)25-17-9-13(21)6-7-15(17)18(23)16-10-22-24-19(16)11-4-5-11/h1-3,6-11H,4-5H2
InChIKeyUUOLBTVVMMZDRP-UHFFFAOYSA-N
XLogP6.24
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.29
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (CID 18953307) is [4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is O=C(c1ccc(Cl)cc1Sc1cccc(Cl)c1)c1cnoc1C1CC1.
What is the InChIKey of [4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The InChIKey is UUOLBTVVMMZDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO2S/c20-12-2-1-3-14(8-12)25-17-9-13(21)6-7-15(17)18(23)16-10-22-24-19(16)11-4-5-11/h1-3,6-11H,4-5H2.
What are the key properties of [4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone has a molecular weight of 390.29 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 18953307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).