2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid

C12H10N2O3 — CID 96600802

IUPAC2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid
SMILESCc1nc2ccc3[nH]c(C)c(C(=O)O)c3c2o1
InChIInChI=1S/C12H10N2O3/c1-5-9(12(15)16)10-7(13-5)3-4-8-11(10)17-6(2)14-8/h3-4,13H,1-2H3,(H,15,16)
InChIKeyUEDAIJKAJYWPRI-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.62
Rot. Bonds1

About 2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid

2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid (PubChem CID 96600802) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid.

Molecular Properties

Compound Name2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid
PubChem CID96600802
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid
SMILESCc1nc2ccc3[nH]c(C)c(C(=O)O)c3c2o1
InChIInChI=1S/C12H10N2O3/c1-5-9(12(15)16)10-7(13-5)3-4-8-11(10)17-6(2)14-8/h3-4,13H,1-2H3,(H,15,16)
InChIKeyUEDAIJKAJYWPRI-UHFFFAOYSA-N
XLogP2.62
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid
CID 84779330
2-methyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carbonitrile
CID 178076659
2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531010
2-(2-methyl-1,3-benzoxazol-7-yl)-2-oxoacetic acid
CID 117293084
2,5-dimethyl-1,3-benzoxazole-7-carboxylic acid
CID 69088021
3-(2-methyl-1,3-benzoxazol-7-yl)-1,2-oxazole-5-carboxylic acid
CID 117361903
1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone
CID 84787306
7-fluoro-2,6-dimethyl-1,3-benzoxazole
CID 20785549
7-bromo-2-methyl-1,3-benzoxazole-5-carboxylic acid
CID 83901167
5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene
CID 154715961
7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid
CID 105457119
2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one
CID 121366012

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid?
The IUPAC name of 2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid (CID 96600802) is 2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid.
What is the SMILES notation for 2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid?
The canonical SMILES for 2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid is Cc1nc2ccc3[nH]c(C)c(C(=O)O)c3c2o1.
What is the InChIKey of 2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid?
The InChIKey is UEDAIJKAJYWPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-5-9(12(15)16)10-7(13-5)3-4-8-11(10)17-6(2)14-8/h3-4,13H,1-2H3,(H,15,16).
What are the key properties of 2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid?
2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid is sourced from PubChem (CID 96600802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).