7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid

C6H5ClN2O3 — CID 84661716

IUPAC7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid
SMILESO=C(O)C1COc2c(Cl)cnn21
InChIInChI=1S/C6H5ClN2O3/c7-3-1-8-9-4(6(10)11)2-12-5(3)9/h1,4H,2H2,(H,10,11)
InChIKeyMNNLHQPZLSSWFJ-UHFFFAOYSA-N
MW188.57 g/mol
LogP0.55
Rot. Bonds1

About 7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid

7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid (PubChem CID 84661716) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid
PubChem CID84661716
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid
SMILESO=C(O)C1COc2c(Cl)cnn21
InChIInChI=1S/C6H5ClN2O3/c7-3-1-8-9-4(6(10)11)2-12-5(3)9/h1,4H,2H2,(H,10,11)
InChIKeyMNNLHQPZLSSWFJ-UHFFFAOYSA-N
XLogP0.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 99164984
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CID 84716502
4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 114036870
(4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 130192161
(2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922688
3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115006183
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole-5-carboxylic acid
CID 66924480
1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 66462594
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid
CID 82378961
8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84621513

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid?
The IUPAC name of 7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid (CID 84661716) is 7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid.
What is the SMILES notation for 7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid?
The canonical SMILES for 7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid is O=C(O)C1COc2c(Cl)cnn21.
What is the InChIKey of 7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid?
The InChIKey is MNNLHQPZLSSWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c7-3-1-8-9-4(6(10)11)2-12-5(3)9/h1,4H,2H2,(H,10,11).
What are the key properties of 7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid?
7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid has a molecular weight of 188.57 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-3-carboxylic acid is sourced from PubChem (CID 84661716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).