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

C12H19N3O — CID 115652749

IUPAC4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile
SMILESCc1cc(CNCC(C)(C)CCC#N)no1
InChIInChI=1S/C12H19N3O/c1-10-7-11(15-16-10)8-14-9-12(2,3)5-4-6-13/h7,14H,4-5,8-9H2,1-3H3
InChIKeyFIOPBUZTEHNTED-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.40
Rot. Bonds6

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

4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile (PubChem CID 115652749) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile
PubChem CID115652749
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile
SMILESCc1cc(CNCC(C)(C)CCC#N)no1
InChIInChI=1S/C12H19N3O/c1-10-7-11(15-16-10)8-14-9-12(2,3)5-4-6-13/h7,14H,4-5,8-9H2,1-3H3
InChIKeyFIOPBUZTEHNTED-UHFFFAOYSA-N
XLogP2.40
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,4-dimethylpentanenitrile
CID 113240748
4,4-dimethyl-5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 115652255
5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile
CID 115751673
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile
CID 79553621
1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine
CID 55078352
1-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210844
4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
CID 103884381
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114
5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile
CID 115651922
2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile
CID 146091745
4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile
CID 115653083
4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile
CID 115698081

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile (CID 115652749) is 4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile is Cc1cc(CNCC(C)(C)CCC#N)no1.
What is the InChIKey of 4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile?
The InChIKey is FIOPBUZTEHNTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-7-11(15-16-10)8-14-9-12(2,3)5-4-6-13/h7,14H,4-5,8-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile?
4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile has a molecular weight of 221.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile is sourced from PubChem (CID 115652749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).