4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one

C13H17NO2 — CID 13192567

IUPAC4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
SMILESCc1ccccc1CN1OCC(C)(C)C1=O
InChIInChI=1S/C13H17NO2/c1-10-6-4-5-7-11(10)8-14-12(15)13(2,3)9-16-14/h4-7H,8-9H2,1-3H3
InChIKeyMFCVJVSUKRTRFE-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.30
Rot. Bonds2

About 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one

4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one (PubChem CID 13192567) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
PubChem CID13192567
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
SMILESCc1ccccc1CN1OCC(C)(C)C1=O
InChIInChI=1S/C13H17NO2/c1-10-6-4-5-7-11(10)8-14-12(15)13(2,3)9-16-14/h4-7H,8-9H2,1-3H3
InChIKeyMFCVJVSUKRTRFE-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 134098087
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;3,6-dichloro-2-methoxybenzoic acid
CID 121485128
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 82134008
3-chloro-4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]benzonitrile
CID 13192576
2-[(2-chloro-3,5-dihydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 169451849
2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 171984717
N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide
CID 134094953
3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115064700
9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine
CID 123972048
5,5-dimethyl-3-(2-methylphenyl)-1,3-oxazinane-2,4-dione
CID 56688466
4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064180
2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 70432010

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one?
The IUPAC name of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one (CID 13192567) is 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one is Cc1ccccc1CN1OCC(C)(C)C1=O.
What is the InChIKey of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one?
The InChIKey is MFCVJVSUKRTRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-6-4-5-7-11(10)8-14-12(15)13(2,3)9-16-14/h4-7H,8-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one?
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one has a molecular weight of 219.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 13192567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).