2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile

C12H19N3O — CID 104579885

IUPAC2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile
SMILESCc1cnc(C(C)NCCC(C)(C)C#N)o1
InChIInChI=1S/C12H19N3O/c1-9-7-15-11(16-9)10(2)14-6-5-12(3,4)8-13/h7,10,14H,5-6H2,1-4H3
InChIKeyVQSFPMGQMVBFLB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.57
Rot. Bonds5

About 2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile

2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile (PubChem CID 104579885) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile
PubChem CID104579885
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile
SMILESCc1cnc(C(C)NCCC(C)(C)C#N)o1
InChIInChI=1S/C12H19N3O/c1-9-7-15-11(16-9)10(2)14-6-5-12(3,4)8-13/h7,10,14H,5-6H2,1-4H3
InChIKeyVQSFPMGQMVBFLB-UHFFFAOYSA-N
XLogP2.57
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893751
N-(2-methoxyethyl)-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893402
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine
CID 104764634
N',N'-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethane-1,2-diamine
CID 104579639
2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 103949036
1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 106388143
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
CID 104579761
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 103893723
2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 65253484
4-[1-(4-methoxyphenyl)ethylamino]-2,2-dimethylbutanenitrile
CID 66242621
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile (CID 104579885) is 2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile is Cc1cnc(C(C)NCCC(C)(C)C#N)o1.
What is the InChIKey of 2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile?
The InChIKey is VQSFPMGQMVBFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-15-11(16-9)10(2)14-6-5-12(3,4)8-13/h7,10,14H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile?
2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile has a molecular weight of 221.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile is sourced from PubChem (CID 104579885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).