3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile

C15H18N2O2 — CID 117010571

IUPAC3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
SMILESCc1cccc(C(C)C)c1N1CC(C#N)COC1=O
InChIInChI=1S/C15H18N2O2/c1-10(2)13-6-4-5-11(3)14(13)17-8-12(7-16)9-19-15(17)18/h4-6,10,12H,8-9H2,1-3H3
InChIKeyNGQWIYJZIWDZAU-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.21
Rot. Bonds2

About 3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile

3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile (PubChem CID 117010571) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile.

Molecular Properties

Compound Name3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
PubChem CID117010571
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
SMILESCc1cccc(C(C)C)c1N1CC(C#N)COC1=O
InChIInChI=1S/C15H18N2O2/c1-10(2)13-6-4-5-11(3)14(13)17-8-12(7-16)9-19-15(17)18/h4-6,10,12H,8-9H2,1-3H3
InChIKeyNGQWIYJZIWDZAU-UHFFFAOYSA-N
XLogP3.21
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010581
2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile
CID 117010595
3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010522
3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010575
3-(2,6-dimethylphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010267
CID 177402644
CID 177402644
3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one
CID 117002326
4-(2-methyl-6-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007463
1,8-dimethyl-3,4-dihydro-2H-quinoline-3-carbonitrile
CID 83752837
2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile
CID 117010661
5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one
CID 117002319
1-(2,6-dimethylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501354

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile?
The IUPAC name of 3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile (CID 117010571) is 3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile.
What is the SMILES notation for 3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile?
The canonical SMILES for 3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile is Cc1cccc(C(C)C)c1N1CC(C#N)COC1=O.
What is the InChIKey of 3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile?
The InChIKey is NGQWIYJZIWDZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)13-6-4-5-11(3)14(13)17-8-12(7-16)9-19-15(17)18/h4-6,10,12H,8-9H2,1-3H3.
What are the key properties of 3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile?
3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile is sourced from PubChem (CID 117010571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).