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

C11H17N3OS — CID 106924710

IUPAC2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
SMILESCNC(C)(C#N)CCCSc1nc(C)co1
InChIInChI=1S/C11H17N3OS/c1-9-7-15-10(14-9)16-6-4-5-11(2,8-12)13-3/h7,13H,4-6H2,1-3H3
InChIKeyDEWMHKNKGWFPTP-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.36
Rot. Bonds6

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

2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile (PubChem CID 106924710) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
PubChem CID106924710
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
SMILESCNC(C)(C#N)CCCSc1nc(C)co1
InChIInChI=1S/C11H17N3OS/c1-9-7-15-10(14-9)16-6-4-5-11(2,8-12)13-3/h7,13H,4-6H2,1-3H3
InChIKeyDEWMHKNKGWFPTP-UHFFFAOYSA-N
XLogP2.36
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
CID 106920998
5-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanenitrile
CID 107781641
methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate
CID 106925078
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)hexanoic acid
CID 106925284
6-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)hexanenitrile
CID 62647233
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide
CID 106925151
2-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propoxy]benzonitrile
CID 106922528
2-(ethylamino)-2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanenitrile
CID 62255452
N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922726
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
CID 106920818
N-(2-cyanophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922534
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanenitrile
CID 62253618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile (CID 106924710) is 2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile is CNC(C)(C#N)CCCSc1nc(C)co1.
What is the InChIKey of 2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
The InChIKey is DEWMHKNKGWFPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9-7-15-10(14-9)16-6-4-5-11(2,8-12)13-3/h7,13H,4-6H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile has a molecular weight of 239.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile is sourced from PubChem (CID 106924710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).