4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile

C16H21N3O2 — CID 115743208

IUPAC4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile
SMILESCC(C)(CCC#N)CNc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C16H21N3O2/c1-16(2,7-4-8-17)12-18-13-5-3-6-14(11-13)19-9-10-21-15(19)20/h3,5-6,11,18H,4,7,9-10,12H2,1-2H3
InChIKeyVCKPDXCHFZQEPO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.39
Rot. Bonds6

About 4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile

4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile (PubChem CID 115743208) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile
PubChem CID115743208
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile
SMILESCC(C)(CCC#N)CNc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C16H21N3O2/c1-16(2,7-4-8-17)12-18-13-5-3-6-14(11-13)19-9-10-21-15(19)20/h3,5-6,11,18H,4,7,9-10,12H2,1-2H3
InChIKeyVCKPDXCHFZQEPO-UHFFFAOYSA-N
XLogP3.39
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 107445145
3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 43727255
3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 79708178
3-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 66414553
3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 43727311
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
3-[3-(pyridin-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43727252
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 61178628
3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 115938027
3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 63740911
3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 107131674
3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide
CID 115743562

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile (CID 115743208) is 4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile is CC(C)(CCC#N)CNc1cccc(N2CCOC2=O)c1.
What is the InChIKey of 4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile?
The InChIKey is VCKPDXCHFZQEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,7-4-8-17)12-18-13-5-3-6-14(11-13)19-9-10-21-15(19)20/h3,5-6,11,18H,4,7,9-10,12H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile?
4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile has a molecular weight of 287.36 g/mol, XLogP of 3.39, 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-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile is sourced from PubChem (CID 115743208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).