N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C11H11ClN2O3 — CID 110650065

IUPACN-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1COC(=O)N1
InChIInChI=1S/C11H11ClN2O3/c1-6-2-3-7(12)4-8(6)13-10(15)9-5-17-11(16)14-9/h2-4,9H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyXSHBNDGBQGLNHB-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.70
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 110650065) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID110650065
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1COC(=O)N1
InChIInChI=1S/C11H11ClN2O3/c1-6-2-3-7(12)4-8(6)13-10(15)9-5-17-11(16)14-9/h2-4,9H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyXSHBNDGBQGLNHB-UHFFFAOYSA-N
XLogP1.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147929
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98197726
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
(1R,2S,3R,4R)-3-[(5-chloro-2-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124604304
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 75606260
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
methyl (4S)-4-[(5-chloro-2-methylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 41090528
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 110650065) is N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1COC(=O)N1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is XSHBNDGBQGLNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-6-2-3-7(12)4-8(6)13-10(15)9-5-17-11(16)14-9/h2-4,9H,5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 254.67 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 110650065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).