[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone

C20H17ClN4O2S — CID 3242813

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C20H17ClN4O2S/c1-13-17(18(24-27-13)15-6-2-3-7-16(15)21)19(26)25-10-9-23-20(25)28-12-14-5-4-8-22-11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyVMKZFWRUKVODLN-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.44
Rot. Bonds4

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3242813) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3242813
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C20H17ClN4O2S/c1-13-17(18(24-27-13)15-6-2-3-7-16(15)21)19(26)25-10-9-23-20(25)28-12-14-5-4-8-22-11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyVMKZFWRUKVODLN-UHFFFAOYSA-N
XLogP4.44
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
CID 2797972
3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
CID 90521451
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164854
N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4651566
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105782
2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
CID 5165403
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 700024
[1'-[(3-chlorophenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 23884017
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251237
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366284

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (CID 3242813) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1cccnc1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is VMKZFWRUKVODLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c1-13-17(18(24-27-13)15-6-2-3-7-16(15)21)19(26)25-10-9-23-20(25)28-12-14-5-4-8-22-11-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 412.90 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3242813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).