3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile

C10H14N2OS — CID 106922550

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
SMILESCCC(CC#N)Sc1nc(C)c(C)o1
InChIInChI=1S/C10H14N2OS/c1-4-9(5-6-11)14-10-12-7(2)8(3)13-10/h9H,4-5H2,1-3H3
InChIKeyCQWHSOZAVACUTD-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.08
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile (PubChem CID 106922550) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
PubChem CID106922550
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
SMILESCCC(CC#N)Sc1nc(C)c(C)o1
InChIInChI=1S/C10H14N2OS/c1-4-9(5-6-11)14-10-12-7(2)8(3)13-10/h9H,4-5H2,1-3H3
InChIKeyCQWHSOZAVACUTD-UHFFFAOYSA-N
XLogP3.08
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile (CID 106922550) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile is CCC(CC#N)Sc1nc(C)c(C)o1.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
The InChIKey is CQWHSOZAVACUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-4-9(5-6-11)14-10-12-7(2)8(3)13-10/h9H,4-5H2,1-3H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile has a molecular weight of 210.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile is sourced from PubChem (CID 106922550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).