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

C10H10N2O3 — CID 165455449

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid
SMILESCc1noc(C)c1-c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C10H10N2O3/c1-5-9(6(2)15-12-5)7-3-8(10(13)14)11-4-7/h3-4,11H,1-2H3,(H,13,14)
InChIKeyNRTMRJBIWLWXSS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.98
Rot. Bonds2

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

4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 165455449) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID165455449
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid
SMILESCc1noc(C)c1-c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C10H10N2O3/c1-5-9(6(2)15-12-5)7-3-8(10(13)14)11-4-7/h3-4,11H,1-2H3,(H,13,14)
InChIKeyNRTMRJBIWLWXSS-UHFFFAOYSA-N
XLogP1.98
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid (CID 165455449) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid is Cc1noc(C)c1-c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is NRTMRJBIWLWXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5-9(6(2)15-12-5)7-3-8(10(13)14)11-4-7/h3-4,11H,1-2H3,(H,13,14).
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 165455449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).