4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile

C19H17N3OS — CID 16588636

IUPAC4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCc2nc(-c3ccccc3)oc2C)n1
InChIInChI=1S/C19H17N3OS/c1-12-9-13(2)21-19(16(12)10-20)24-11-17-14(3)23-18(22-17)15-7-5-4-6-8-15/h4-9H,11H2,1-3H3
InChIKeyKOKNXZKGUMPKCJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.83
Rot. Bonds4

About 4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile

4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile (PubChem CID 16588636) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
PubChem CID16588636
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCc2nc(-c3ccccc3)oc2C)n1
InChIInChI=1S/C19H17N3OS/c1-12-9-13(2)21-19(16(12)10-20)24-11-17-14(3)23-18(22-17)15-7-5-4-6-8-15/h4-9H,11H2,1-3H3
InChIKeyKOKNXZKGUMPKCJ-UHFFFAOYSA-N
XLogP4.83
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-6-methyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 16611673
4,6-dimethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 4858805
2-[(2-ethylphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 2810516
6-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4547360
2-(furan-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658664
4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 95919305
4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 112797814
2-[(3-cyanophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 40552199
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
2-[(4-fluorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 724579
2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile
CID 4083056
2-[(5-bromo-2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 7150559

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile (CID 16588636) is 4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(SCc2nc(-c3ccccc3)oc2C)n1.
What is the InChIKey of 4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile?
The InChIKey is KOKNXZKGUMPKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12-9-13(2)21-19(16(12)10-20)24-11-17-14(3)23-18(22-17)15-7-5-4-6-8-15/h4-9H,11H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile?
4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile has a molecular weight of 335.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 16588636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).