(3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone

C13H17NO2 — CID 110740144

IUPAC(3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCOC2C)cc1C
InChIInChI=1S/C13H17NO2/c1-9-4-5-12(8-10(9)2)13(15)14-6-7-16-11(14)3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyRHHPWOHAFRJDBI-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.12
Rot. Bonds1

About (3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone

(3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone (PubChem CID 110740144) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone
PubChem CID110740144
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCOC2C)cc1C
InChIInChI=1S/C13H17NO2/c1-9-4-5-12(8-10(9)2)13(15)14-6-7-16-11(14)3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyRHHPWOHAFRJDBI-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-[(2S)-2-methyl-1,3-oxazolidin-3-yl]methanone
CID 175972159
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
CID 63373754
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3,4-dimethylphenyl)methanone
CID 43594813
1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549380
[(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 94022322
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110312395

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone (CID 110740144) is (3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone is Cc1ccc(C(=O)N2CCOC2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone?
The InChIKey is RHHPWOHAFRJDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-4-5-12(8-10(9)2)13(15)14-6-7-16-11(14)3/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone?
(3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone has a molecular weight of 219.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 110740144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).