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

C18H20N4O2S — CID 51336580

IUPACN-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)N(C)Cc2cnn(C)c2)on1
InChIInChI=1S/C18H20N4O2S/c1-13-8-15(24-20-13)12-25-17-7-5-4-6-16(17)18(23)21(2)10-14-9-19-22(3)11-14/h4-9,11H,10,12H2,1-3H3
InChIKeyYHPSTSIZQNIDSM-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.28
Rot. Bonds6

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

N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 51336580) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID51336580
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)N(C)Cc2cnn(C)c2)on1
InChIInChI=1S/C18H20N4O2S/c1-13-8-15(24-20-13)12-25-17-7-5-4-6-16(17)18(23)21(2)10-14-9-19-22(3)11-14/h4-9,11H,10,12H2,1-3H3
InChIKeyYHPSTSIZQNIDSM-UHFFFAOYSA-N
XLogP3.28
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.28
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]-2-phenylacetamide
CID 57422266
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 24982323
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]-3-methylbenzamide
CID 57944985
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 24980582
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide
CID 57422294
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 57422295
(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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 51336580) is N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1cc(CSc2ccccc2C(=O)N(C)Cc2cnn(C)c2)on1.
What is the InChIKey of N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is YHPSTSIZQNIDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13-8-15(24-20-13)12-25-17-7-5-4-6-16(17)18(23)21(2)10-14-9-19-22(3)11-14/h4-9,11H,10,12H2,1-3H3.
What are the key properties of N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 356.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 51336580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).