4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole

C17H14ClNO2S — CID 55538558

IUPAC4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(CSc3ccccc3Cl)co2)cc1
InChIInChI=1S/C17H14ClNO2S/c1-20-14-8-6-12(7-9-14)17-19-13(10-21-17)11-22-16-5-3-2-4-15(16)18/h2-10H,11H2,1H3
InChIKeyJRGDURJYGNMTNF-UHFFFAOYSA-N
MW331.82 g/mol
LogP5.30
Rot. Bonds5

About 4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole

4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 55538558) has the molecular formula C17H14ClNO2S and a molecular weight of 331.82 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
PubChem CID55538558
Molecular FormulaC17H14ClNO2S
Molecular Weight331.82 g/mol
Exact Mass331.04
IUPAC Name4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(CSc3ccccc3Cl)co2)cc1
InChIInChI=1S/C17H14ClNO2S/c1-20-14-8-6-12(7-9-14)17-19-13(10-21-17)11-22-16-5-3-2-4-15(16)18/h2-10H,11H2,1H3
InChIKeyJRGDURJYGNMTNF-UHFFFAOYSA-N
XLogP5.30
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.82
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-4-(quinolin-4-ylsulfanylmethyl)-1,3-oxazole
CID 56583626
4-(benzylsulfanylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 55542268
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
3-chloro-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 43305073
4-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 32891357
N-[1-(4-chlorophenyl)ethyl]-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 78850949
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 38640368
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46581074
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55775493
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 39411765
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole (CID 55538558) is 4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2nc(CSc3ccccc3Cl)co2)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is JRGDURJYGNMTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2S/c1-20-14-8-6-12(7-9-14)17-19-13(10-21-17)11-22-16-5-3-2-4-15(16)18/h2-10H,11H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 331.82 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 55538558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).