4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid

C7H8N2O3 — CID 82413478

IUPAC4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid
SMILESCN1CCc2onc(C(=O)O)c21
InChIInChI=1S/C7H8N2O3/c1-9-3-2-4-6(9)5(7(10)11)8-12-4/h2-3H2,1H3,(H,10,11)
InChIKeyHWQQSRVQTHHCRJ-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.37
Rot. Bonds1

About 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid

4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid (PubChem CID 82413478) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid
PubChem CID82413478
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid
SMILESCN1CCc2onc(C(=O)O)c21
InChIInChI=1S/C7H8N2O3/c1-9-3-2-4-6(9)5(7(10)11)8-12-4/h2-3H2,1H3,(H,10,11)
InChIKeyHWQQSRVQTHHCRJ-UHFFFAOYSA-N
XLogP0.37
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-3-carboxylic acid
CID 83916744
5,7-dihydro-4H-pyrano[4,3-d][1,2]oxazole-3-carboxylic acid
CID 82412985
3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine
CID 90695712
4,6-dihydrothieno[3,4-d][1,2]oxazole-3-carboxylic acid
CID 82412161
(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 124512583
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
(4S,6R)-4,6-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 124512582
3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 68643968
5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
CID 166337118
tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate
CID 82391666
5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid
CID 83917773
5-[(4-chlorophenyl)methylcarbamothioyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
CID 87645027

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid?
The IUPAC name of 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid (CID 82413478) is 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid.
What is the SMILES notation for 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid?
The canonical SMILES for 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid is CN1CCc2onc(C(=O)O)c21.
What is the InChIKey of 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid?
The InChIKey is HWQQSRVQTHHCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-9-3-2-4-6(9)5(7(10)11)8-12-4/h2-3H2,1H3,(H,10,11).
What are the key properties of 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid?
4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-3-carboxylic acid is sourced from PubChem (CID 82413478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).