1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

C13H12ClNO3S — CID 103520160

IUPAC1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)co2)cc1Cl
InChIInChI=1S/C13H12ClNO3S/c1-8-6-18-13(15-8)19-7-11(16)9-3-4-12(17-2)10(14)5-9/h3-6H,7H2,1-2H3
InChIKeyWOGPZACJWKUPSH-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.62
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (PubChem CID 103520160) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
PubChem CID103520160
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)co2)cc1Cl
InChIInChI=1S/C13H12ClNO3S/c1-8-6-18-13(15-8)19-7-11(16)9-3-4-12(17-2)10(14)5-9/h3-6H,7H2,1-2H3
InChIKeyWOGPZACJWKUPSH-UHFFFAOYSA-N
XLogP3.62
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520257
1-(3-chloro-4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 62267156
1-(3-chloro-4-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43222130
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
CID 7489262
1-(3-chloro-4-methoxyphenyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 24669923
2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43222143
1-(3-chloro-4-methoxyphenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 8506030
1-(3-chloro-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
CID 61218742
1-(3-chloro-4-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 38915527
ethyl 2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]sulfanylacetate
CID 43801761
1-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]ethanone
CID 103289013
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (CID 103520160) is 1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is COc1ccc(C(=O)CSc2nc(C)co2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The InChIKey is WOGPZACJWKUPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-8-6-18-13(15-8)19-7-11(16)9-3-4-12(17-2)10(14)5-9/h3-6H,7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone has a molecular weight of 297.76 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 103520160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).