4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile

C10H7N3OS — CID 106922512

IUPAC4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CSc2ncco2)ccn1
InChIInChI=1S/C10H7N3OS/c11-6-9-5-8(1-2-12-9)7-15-10-13-3-4-14-10/h1-5H,7H2
InChIKeyNYPFFEABBKOSEM-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.23
Rot. Bonds3

About 4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile

4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile (PubChem CID 106922512) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
PubChem CID106922512
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CSc2ncco2)ccn1
InChIInChI=1S/C10H7N3OS/c11-6-9-5-8(1-2-12-9)7-15-10-13-3-4-14-10/h1-5H,7H2
InChIKeyNYPFFEABBKOSEM-UHFFFAOYSA-N
XLogP2.23
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzoxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 63883856
4-[(4-bromophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884833
4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63881760
4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63885408
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63886379
4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63885602
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 63885411
4-[(4-tert-butylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884637
4-[(3-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63881758
[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
CID 106923568
4-(propylsulfanylmethyl)pyridine-2-carbonitrile
CID 63884249
4-[(2-amino-5-methylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 79142072

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile (CID 106922512) is 4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile is N#Cc1cc(CSc2ncco2)ccn1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile?
The InChIKey is NYPFFEABBKOSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c11-6-9-5-8(1-2-12-9)7-15-10-13-3-4-14-10/h1-5H,7H2.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile?
4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile has a molecular weight of 217.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 106922512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).