N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide

C13H18N2O2 — CID 110749603

IUPACN-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
SMILESCC1(C)COCN1C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-13(2)9-17-10-15(13)12(16)14-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,16)
InChIKeyTVTFDEBKIDUJNB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.96
Rot. Bonds2

About N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide

N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide (PubChem CID 110749603) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
PubChem CID110749603
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
SMILESCC1(C)COCN1C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-13(2)9-17-10-15(13)12(16)14-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,16)
InChIKeyTVTFDEBKIDUJNB-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
CID 110740655
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
CID 110740632
3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61428498
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide
CID 110747314
N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110368936
N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131644499
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide
CID 130941448
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2-methylphenyl)methanone
CID 110740609

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide (CID 110749603) is N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide is CC1(C)COCN1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is TVTFDEBKIDUJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2)9-17-10-15(13)12(16)14-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,16).
What are the key properties of N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide?
N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 110749603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).