2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid

C10H10N2O3 — CID 62902400

IUPAC2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1-c1cnoc1
InChIInChI=1S/C10H10N2O3/c1-6-3-9(10(13)14)7(2)12(6)8-4-11-15-5-8/h3-5H,1-2H3,(H,13,14)
InChIKeyMQOPTAAMDCYZMS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.78
Rot. Bonds2

About 2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid

2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid (PubChem CID 62902400) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid
PubChem CID62902400
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1-c1cnoc1
InChIInChI=1S/C10H10N2O3/c1-6-3-9(10(13)14)7(2)12(6)8-4-11-15-5-8/h3-5H,1-2H3,(H,13,14)
InChIKeyMQOPTAAMDCYZMS-UHFFFAOYSA-N
XLogP1.78
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
2,5-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrrole-3-carboxylic acid
CID 115564074
1-[4-(methoxymethyl)phenyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 114253051
1-(2,6-dimethylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 28541722
2,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrole-3-carboxylic acid
CID 107647550
1-(4-bromo-2,6-dimethylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 65470007
2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid
CID 79042723
1-(2-iodophenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 28977736
5-(3-acetyl-2,5-dimethylpyrrol-1-yl)-2-pyrrolidin-1-ylbenzoic acid
CID 23008610
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 107647549
1-(5-bromo-2-methylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 43805801
1-(3-isocyano-4,5-dimethylfuran-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 168727698

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid (CID 62902400) is 2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid is Cc1cc(C(=O)O)c(C)n1-c1cnoc1.
What is the InChIKey of 2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid?
The InChIKey is MQOPTAAMDCYZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-3-9(10(13)14)7(2)12(6)8-4-11-15-5-8/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid?
2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1,2-oxazol-4-yl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 62902400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).