(4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone

C16H23NO2 — CID 110740624

IUPAC(4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2COCC2(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-15(2,3)13-8-6-12(7-9-13)14(18)17-11-19-10-16(17,4)5/h6-9H,10-11H2,1-5H3
InChIKeyKDSGCDGTIZVICI-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.19
Rot. Bonds1

About (4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone

(4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone (PubChem CID 110740624) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
PubChem CID110740624
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2COCC2(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-15(2,3)13-8-6-12(7-9-13)14(18)17-11-19-10-16(17,4)5/h6-9H,10-11H2,1-5H3
InChIKeyKDSGCDGTIZVICI-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone (CID 110740624) is (4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone is CC(C)(C)c1ccc(C(=O)N2COCC2(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The InChIKey is KDSGCDGTIZVICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2,3)13-8-6-12(7-9-13)14(18)17-11-19-10-16(17,4)5/h6-9H,10-11H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
(4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 110740624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).