2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C19H22N4O2S — CID 51336509

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C19H22N4O2S/c1-13-17(14(2)25-21-13)12-26-18-8-6-5-7-16(18)19(24)22(3)10-15-9-20-23(4)11-15/h5-9,11H,10,12H2,1-4H3
InChIKeyWZLLJYHAVYNNDY-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.59
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 51336509) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID51336509
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C19H22N4O2S/c1-13-17(14(2)25-21-13)12-26-18-8-6-5-7-16(18)19(24)22(3)10-15-9-20-23(4)11-15/h5-9,11H,10,12H2,1-4H3
InChIKeyWZLLJYHAVYNNDY-UHFFFAOYSA-N
XLogP3.59
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 57422275
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methylsulfonylbenzamide
CID 57422276
3-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 57422437
3-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methylsulfinylphenyl)methyl]imidazolidine-2,4-dione
CID 57944906
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide
CID 57422294
(2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide
CID 57422315
(3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone
CID 2741266
4-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,5-dihydro-2H-1lambda6,4-benzothiazepine 1,1-dioxide
CID 126780317
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 3485366
2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 3851629
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55592682
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide
CID 56121279

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 51336509) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is WZLLJYHAVYNNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-17(14(2)25-21-13)12-26-18-8-6-5-7-16(18)19(24)22(3)10-15-9-20-23(4)11-15/h5-9,11H,10,12H2,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 370.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 51336509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).