N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide

C15H22N2O2 — CID 110749582

IUPACN-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCOC1c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-16-14(18)17-9-10-19-13(17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,16,18)
InChIKeyOUJKGJSTEDFWAQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.77
Rot. Bonds2

About N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide

N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide (PubChem CID 110749582) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide
PubChem CID110749582
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCOC1c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-16-14(18)17-9-10-19-13(17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,16,18)
InChIKeyOUJKGJSTEDFWAQ-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide (CID 110749582) is N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide is CC(C)(C)CNC(=O)N1CCOC1c1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is OUJKGJSTEDFWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)11-16-14(18)17-9-10-19-13(17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide?
N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-phenyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 110749582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).