[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

C19H12Cl2N2O2S — CID 59674978

IUPAC[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2csc(Cl)c2)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2N2O2S/c20-14-5-3-11(4-6-14)19-16(18(24)12-2-1-7-22-9-12)17(23-25-19)13-8-15(21)26-10-13/h1-10,18,24H
InChIKeyJFZYJRAJMLJOJU-UHFFFAOYSA-N
MW403.29 g/mol
LogP5.85
Rot. Bonds4

About [5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 59674978) has the molecular formula C19H12Cl2N2O2S and a molecular weight of 403.29 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID59674978
Molecular FormulaC19H12Cl2N2O2S
Molecular Weight403.29 g/mol
Exact Mass402.00
IUPAC Name[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2csc(Cl)c2)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2N2O2S/c20-14-5-3-11(4-6-14)19-16(18(24)12-2-1-7-22-9-12)17(23-25-19)13-8-15(21)26-10-13/h1-10,18,24H
InChIKeyJFZYJRAJMLJOJU-UHFFFAOYSA-N
XLogP5.85
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675031
[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675028
[5-(4-chlorophenyl)-3-(3-methylbutan-2-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463283
[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674963
[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463442
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
4-[5-(2-chlorophenyl)-4-[hydroxy(pyridin-3-yl)methyl]-1,2-oxazol-3-yl]benzonitrile
CID 59674947
pyridin-3-yl-[3-[4-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 87814556
[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463288
[3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463279
[3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 143201407
[4-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463425

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 59674978) is [5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2csc(Cl)c2)noc1-c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is JFZYJRAJMLJOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2S/c20-14-5-3-11(4-6-14)19-16(18(24)12-2-1-7-22-9-12)17(23-25-19)13-8-15(21)26-10-13/h1-10,18,24H.
What are the key properties of [5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 403.29 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 59674978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).