2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid

C9H8ClNO4S — CID 141098610

IUPAC2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid
SMILESO=C(O)C1CNC(C(=O)c2ccc(Cl)s2)O1
InChIInChI=1S/C9H8ClNO4S/c10-6-2-1-5(16-6)7(12)8-11-3-4(15-8)9(13)14/h1-2,4,8,11H,3H2,(H,13,14)
InChIKeyUOKXELSODZAPAN-UHFFFAOYSA-N
MW261.69 g/mol
LogP0.98
Rot. Bonds3

About 2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid

2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid (PubChem CID 141098610) has the molecular formula C9H8ClNO4S and a molecular weight of 261.69 g/mol. Its IUPAC name is 2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid
PubChem CID141098610
Molecular FormulaC9H8ClNO4S
Molecular Weight261.69 g/mol
Exact Mass260.99
IUPAC Name2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid
SMILESO=C(O)C1CNC(C(=O)c2ccc(Cl)s2)O1
InChIInChI=1S/C9H8ClNO4S/c10-6-2-1-5(16-6)7(12)8-11-3-4(15-8)9(13)14/h1-2,4,8,11H,3H2,(H,13,14)
InChIKeyUOKXELSODZAPAN-UHFFFAOYSA-N
XLogP0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone
CID 62213512
2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone
CID 130986231
azepan-2-yl-(5-chlorothiophen-2-yl)methanone
CID 116582505
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 69123830
(5-chlorothiophen-2-yl)-[(2R,3S)-3-(trichloromethyl)oxiran-2-yl]methanone
CID 840272
(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549697
4-(5-chlorothiophene-2-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 43242096
(5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814054
methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate
CID 10060402
2-amino-3-(5-chlorothiophen-2-yl)-3-oxopropanoic acid
CID 116920482
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
CID 43161016

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid (CID 141098610) is 2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid is O=C(O)C1CNC(C(=O)c2ccc(Cl)s2)O1.
What is the InChIKey of 2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is UOKXELSODZAPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO4S/c10-6-2-1-5(16-6)7(12)8-11-3-4(15-8)9(13)14/h1-2,4,8,11H,3H2,(H,13,14).
What are the key properties of 2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid?
2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 261.69 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 141098610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).