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

C11H12N2O3 — CID 79103512

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid
SMILESCc1nc(Cn2ccc(C(=O)O)c2)oc1C
InChIInChI=1S/C11H12N2O3/c1-7-8(2)16-10(12-7)6-13-4-3-9(5-13)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyYQBNJFSCAJWHDK-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.84
Rot. Bonds3

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid (PubChem CID 79103512) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid
PubChem CID79103512
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid
SMILESCc1nc(Cn2ccc(C(=O)O)c2)oc1C
InChIInChI=1S/C11H12N2O3/c1-7-8(2)16-10(12-7)6-13-4-3-9(5-13)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyYQBNJFSCAJWHDK-UHFFFAOYSA-N
XLogP1.84
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82903890
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106376021
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
CID 134858282
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114180477
2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propanoic acid
CID 62310484
1-[(2,5-dimethylphenyl)methyl]pyrrole-3-carboxylic acid
CID 79103344
1-[(3-methylthiophen-2-yl)methyl]pyrrole-3-carboxylic acid
CID 121200341
1-propylpyrrole-3-carboxylic acid
CID 70182484
1-[(3-methylimidazol-4-yl)methyl]pyrrole-3-carboxylic acid
CID 79103169
(E)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-phenylbut-2-en-1-one
CID 98479498
1-[(4-ethenylphenyl)methyl]pyrrole-3-carboxylic acid
CID 121200079
1-(naphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
CID 79103868

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid (CID 79103512) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid is Cc1nc(Cn2ccc(C(=O)O)c2)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid?
The InChIKey is YQBNJFSCAJWHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-8(2)16-10(12-7)6-13-4-3-9(5-13)11(14)15/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 79103512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).