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

C13H19N3OS — CID 106924797

IUPAC2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile
SMILESCc1nc(SCCC(C)(C#N)NC2CC2)oc1C
InChIInChI=1S/C13H19N3OS/c1-9-10(2)17-12(15-9)18-7-6-13(3,8-14)16-11-4-5-11/h11,16H,4-7H2,1-3H3
InChIKeyMDVUMLNMTIRSPH-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.81
Rot. Bonds6

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

2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile (PubChem CID 106924797) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile
PubChem CID106924797
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile
SMILESCc1nc(SCCC(C)(C#N)NC2CC2)oc1C
InChIInChI=1S/C13H19N3OS/c1-9-10(2)17-12(15-9)18-7-6-13(3,8-14)16-11-4-5-11/h11,16H,4-7H2,1-3H3
InChIKeyMDVUMLNMTIRSPH-UHFFFAOYSA-N
XLogP2.81
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethylpentanenitrile
CID 106924825
2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanenitrile
CID 106924810
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 106924815
2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile
CID 106924789
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106924769
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-2-methylpropan-2-amine
CID 106924288
2-(cyclopropylamino)-4-(3-methoxypropylsulfanyl)-2-methylbutanenitrile
CID 63856336
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutanenitrile
CID 62647390
2-(cyclopropylamino)-2-methyl-4-[(3-methylphenyl)methylsulfanyl]butanenitrile
CID 62765559
2-(cyclopropylamino)-2-methyl-4-[(2-methylphenyl)methylsulfanyl]butanenitrile
CID 55113068
2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole
CID 131207208
2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
CID 107781741

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile (CID 106924797) is 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile is Cc1nc(SCCC(C)(C#N)NC2CC2)oc1C.
What is the InChIKey of 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile?
The InChIKey is MDVUMLNMTIRSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-10(2)17-12(15-9)18-7-6-13(3,8-14)16-11-4-5-11/h11,16H,4-7H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile?
2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile has a molecular weight of 265.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylbutanenitrile is sourced from PubChem (CID 106924797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).