N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide

C12H14Cl2N2O2 — CID 134086769

IUPACN-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide
SMILESCC1(C)OCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2)16(5-6-18-12)11(17)15-8-3-4-9(13)10(14)7-8/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyWWSAFWZDHWFUJO-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.59
Rot. Bonds1

About N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide

N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide (PubChem CID 134086769) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide
PubChem CID134086769
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide
SMILESCC1(C)OCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2)16(5-6-18-12)11(17)15-8-3-4-9(13)10(14)7-8/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyWWSAFWZDHWFUJO-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide
CID 110190318
N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 71801658
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
1-(3,4-dichlorophenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
CID 103800949
S-methyl N-(3,4-dichlorophenyl)carbamothioate
CID 23273770
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 107614592
N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide
CID 79537750
4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 79867440

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide (CID 134086769) is N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide is CC1(C)OCCN1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is WWSAFWZDHWFUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-12(2)16(5-6-18-12)11(17)15-8-3-4-9(13)10(14)7-8/h3-4,7H,5-6H2,1-2H3,(H,15,17).
What are the key properties of N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide?
N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 134086769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).