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

C11H11ClN2O4 — CID 142439079

IUPACN-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1C(=O)ONC1O
InChIInChI=1S/C11H11ClN2O4/c1-5-6(12)3-2-4-7(5)13-9(15)8-10(16)14-18-11(8)17/h2-4,8,10,14,16H,1H3,(H,13,15)
InChIKeyNKGHAZBKRLIELU-UHFFFAOYSA-N
MW270.67 g/mol
LogP0.58
Rot. Bonds2

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

N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439079) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439079
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC NameN-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1C(=O)ONC1O
InChIInChI=1S/C11H11ClN2O4/c1-5-6(12)3-2-4-7(5)13-9(15)8-10(16)14-18-11(8)17/h2-4,8,10,14,16H,1H3,(H,13,15)
InChIKeyNKGHAZBKRLIELU-UHFFFAOYSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 588174
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CID 21174750
N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
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CID 119671790
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CID 110859024
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CID 100694137
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(1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 7034112
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439102
N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448508

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439079) is N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide is Cc1c(Cl)cccc1NC(=O)C1C(=O)ONC1O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is NKGHAZBKRLIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c1-5-6(12)3-2-4-7(5)13-9(15)8-10(16)14-18-11(8)17/h2-4,8,10,14,16H,1H3,(H,13,15).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 270.67 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).