[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

C15H13ClFN3O2S — CID 2797972

IUPAC[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C15H13ClFN3O2S/c1-8-11(14(21)20-7-6-18-15(20)23-2)13(19-22-8)12-9(16)4-3-5-10(12)17/h3-5H,6-7H2,1-2H3
InChIKeySSZKENPTJAHOGD-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.62
Rot. Bonds2

About [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 2797972) has the molecular formula C15H13ClFN3O2S and a molecular weight of 353.81 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID2797972
Molecular FormulaC15H13ClFN3O2S
Molecular Weight353.81 g/mol
Exact Mass353.04
IUPAC Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C15H13ClFN3O2S/c1-8-11(14(21)20-7-6-18-15(20)23-2)13(19-22-8)12-9(16)4-3-5-10(12)17/h3-5H,6-7H2,1-2H3
InChIKeySSZKENPTJAHOGD-UHFFFAOYSA-N
XLogP3.62
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 52726149
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 34342771
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 2812652
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 95269639
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 120660254
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26263670
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
azepan-1-yl-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1070129
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-methylpiperazin-1-yl)-1,2-oxazole-4-carboxamide
CID 2334883
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone;hydrochloride
CID 119517807
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 27364501
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone
CID 3821344

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 2797972) is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is CSC1=NCCN1C(=O)c1c(-c2c(F)cccc2Cl)noc1C.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is SSZKENPTJAHOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2S/c1-8-11(14(21)20-7-6-18-15(20)23-2)13(19-22-8)12-9(16)4-3-5-10(12)17/h3-5H,6-7H2,1-2H3.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 353.81 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 2797972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).