4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole

C20H19N5OS — CID 95919305

IUPAC4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1cc(C)n(-c2nccnc2SCc2nc(-c3ccccc3)oc2C)n1
InChIInChI=1S/C20H19N5OS/c1-13-11-14(2)25(24-13)18-20(22-10-9-21-18)27-12-17-15(3)26-19(23-17)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3
InChIKeyOZILEWXAZNLUFY-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.53
Rot. Bonds5

About 4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole

4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 95919305) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID95919305
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1cc(C)n(-c2nccnc2SCc2nc(-c3ccccc3)oc2C)n1
InChIInChI=1S/C20H19N5OS/c1-13-11-14(2)25(24-13)18-20(22-10-9-21-18)27-12-17-15(3)26-19(23-17)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3
InChIKeyOZILEWXAZNLUFY-UHFFFAOYSA-N
XLogP4.53
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 16588636
5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 95919322
5-acetyl-6-methyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 16611673
4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 45498771
5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 16612283
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
CID 95922170
2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine
CID 154883813
4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16589280
4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole
CID 20908483
4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16588621
4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16611480

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole (CID 95919305) is 4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole is Cc1cc(C)n(-c2nccnc2SCc2nc(-c3ccccc3)oc2C)n1.
What is the InChIKey of 4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is OZILEWXAZNLUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-13-11-14(2)25(24-13)18-20(22-10-9-21-18)27-12-17-15(3)26-19(23-17)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3.
What are the key properties of 4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 377.47 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 95919305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).