(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone

C13H17NO2 — CID 110740609

IUPAC(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1COCC1(C)C
InChIInChI=1S/C13H17NO2/c1-10-6-4-5-7-11(10)12(15)14-9-16-8-13(14,2)3/h4-7H,8-9H2,1-3H3
InChIKeyUJRDBTDUXGRWET-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.20
Rot. Bonds1

About (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone

(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone (PubChem CID 110740609) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone
PubChem CID110740609
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1COCC1(C)C
InChIInChI=1S/C13H17NO2/c1-10-6-4-5-7-11(10)12(15)14-9-16-8-13(14,2)3/h4-7H,8-9H2,1-3H3
InChIKeyUJRDBTDUXGRWET-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone?
The IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone (CID 110740609) is (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1COCC1(C)C.
What is the InChIKey of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone?
The InChIKey is UJRDBTDUXGRWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-6-4-5-7-11(10)12(15)14-9-16-8-13(14,2)3/h4-7H,8-9H2,1-3H3.
What are the key properties of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone?
(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone has a molecular weight of 219.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 110740609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).