3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile

C12H12N2O2 — CID 114481344

IUPAC3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile
SMILESCc1cc(C#N)ccc1CN1CCOC1=O
InChIInChI=1S/C12H12N2O2/c1-9-6-10(7-13)2-3-11(9)8-14-4-5-16-12(14)15/h2-3,6H,4-5,8H2,1H3
InChIKeyGKBCFOXXUNVWRV-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.82
Rot. Bonds2

About 3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile

3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile (PubChem CID 114481344) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile
PubChem CID114481344
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile
SMILESCc1cc(C#N)ccc1CN1CCOC1=O
InChIInChI=1S/C12H12N2O2/c1-9-6-10(7-13)2-3-11(9)8-14-4-5-16-12(14)15/h2-3,6H,4-5,8H2,1H3
InChIKeyGKBCFOXXUNVWRV-UHFFFAOYSA-N
XLogP1.82
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dioxoimidazolidin-1-yl)methyl]-3-methylbenzonitrile
CID 114486009
3-methyl-4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]benzonitrile
CID 114481420
3-methyl-4-[(4-oxo-2,3-dihydroquinolin-1-yl)methyl]benzonitrile
CID 114482316
3-methyl-4-(piperidin-1-ylmethyl)benzonitrile
CID 114480957
4-[(2,6-dioxopiperidin-1-yl)methyl]-3-methylbenzonitrile
CID 114481351
3-methyl-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]benzonitrile
CID 102743866
4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzonitrile
CID 114480954
3-methyl-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]benzonitrile
CID 114481209
3-methyl-4-[(2-methylpyrrolidin-1-yl)methyl]benzonitrile
CID 114481019
3-methyl-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzonitrile
CID 114481439
3-methyl-4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile
CID 114481318
4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]-3-methylbenzonitrile
CID 114481242

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile?
The IUPAC name of 3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile (CID 114481344) is 3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile.
What is the SMILES notation for 3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile?
The canonical SMILES for 3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile is Cc1cc(C#N)ccc1CN1CCOC1=O.
What is the InChIKey of 3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile?
The InChIKey is GKBCFOXXUNVWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-6-10(7-13)2-3-11(9)8-14-4-5-16-12(14)15/h2-3,6H,4-5,8H2,1H3.
What are the key properties of 3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile?
3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile has a molecular weight of 216.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile is sourced from PubChem (CID 114481344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).