(4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone

C20H13ClN2O3S — CID 1252119

IUPAC(4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(CSc2nnc(-c3ccccc3)o2)o1
InChIInChI=1S/C20H13ClN2O3S/c21-15-8-6-13(7-9-15)18(24)17-11-10-16(25-17)12-27-20-23-22-19(26-20)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyPWXDLGGMSACYNR-UHFFFAOYSA-N
MW396.86 g/mol
LogP5.51
Rot. Bonds6

About (4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone

(4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone (PubChem CID 1252119) has the molecular formula C20H13ClN2O3S and a molecular weight of 396.86 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
PubChem CID1252119
Molecular FormulaC20H13ClN2O3S
Molecular Weight396.86 g/mol
Exact Mass396.03
IUPAC Name(4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(CSc2nnc(-c3ccccc3)o2)o1
InChIInChI=1S/C20H13ClN2O3S/c21-15-8-6-13(7-9-15)18(24)17-11-10-16(25-17)12-27-20-23-22-19(26-20)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyPWXDLGGMSACYNR-UHFFFAOYSA-N
XLogP5.51
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.86
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 9263800
4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-phenylbenzamide
CID 46675739
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 31048483
2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 717082
2-[(4-chlorophenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 808887
N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 7907046
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7023539
2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 78762558
2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 855861
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 828968
2-(4-chlorophenyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 55443484

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone (CID 1252119) is (4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(CSc2nnc(-c3ccccc3)o2)o1.
What is the InChIKey of (4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone?
The InChIKey is PWXDLGGMSACYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O3S/c21-15-8-6-13(7-9-15)18(24)17-11-10-16(25-17)12-27-20-23-22-19(26-20)14-4-2-1-3-5-14/h1-11H,12H2.
What are the key properties of (4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone?
(4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone has a molecular weight of 396.86 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-yl]methanone is sourced from PubChem (CID 1252119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).