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

C12H10ClN3OS — CID 84584125

IUPAC5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
SMILESCc1noc(C)c1CSc1ncc(C#N)cc1Cl
InChIInChI=1S/C12H10ClN3OS/c1-7-10(8(2)17-16-7)6-18-12-11(13)3-9(4-14)5-15-12/h3,5H,6H2,1-2H3
InChIKeyAAEMIJQLHAMYQE-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.50
Rot. Bonds3

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

5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile (PubChem CID 84584125) has the molecular formula C12H10ClN3OS and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
PubChem CID84584125
Molecular FormulaC12H10ClN3OS
Molecular Weight279.75 g/mol
Exact Mass279.02
IUPAC Name5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
SMILESCc1noc(C)c1CSc1ncc(C#N)cc1Cl
InChIInChI=1S/C12H10ClN3OS/c1-7-10(8(2)17-16-7)6-18-12-11(13)3-9(4-14)5-15-12/h3,5H,6H2,1-2H3
InChIKeyAAEMIJQLHAMYQE-UHFFFAOYSA-N
XLogP3.50
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine
CID 106678730
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 78830929
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 8012127
4-[(3-bromo-2-pyridinyl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 119041880
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 7570115
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]aniline
CID 79527782
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorobenzonitrile
CID 103792121
4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-methylbenzonitrile
CID 114484025
2-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzonitrile
CID 43425609
4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 35696308
N-(3-cyanophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18166286
4-[2-(4-chlorophenoxy)ethylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 84603511

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile (CID 84584125) is 5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile is Cc1noc(C)c1CSc1ncc(C#N)cc1Cl.
What is the InChIKey of 5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile?
The InChIKey is AAEMIJQLHAMYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3OS/c1-7-10(8(2)17-16-7)6-18-12-11(13)3-9(4-14)5-15-12/h3,5H,6H2,1-2H3.
What are the key properties of 5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile?
5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile has a molecular weight of 279.75 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 84584125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).