2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid

C10H9NO4 — CID 84779330

IUPAC2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid
SMILESCc1nc2ccc(CC(=O)O)c(O)c2o1
InChIInChI=1S/C10H9NO4/c1-5-11-7-3-2-6(4-8(12)13)9(14)10(7)15-5/h2-3,14H,4H2,1H3,(H,12,13)
InChIKeyMYISCAGREGBDOZ-UHFFFAOYSA-N
MW207.18 g/mol
LogP1.47
Rot. Bonds2

About 2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid

2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid (PubChem CID 84779330) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is 2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid
PubChem CID84779330
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Name2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid
SMILESCc1nc2ccc(CC(=O)O)c(O)c2o1
InChIInChI=1S/C10H9NO4/c1-5-11-7-3-2-6(4-8(12)13)9(14)10(7)15-5/h2-3,14H,4H2,1H3,(H,12,13)
InChIKeyMYISCAGREGBDOZ-UHFFFAOYSA-N
XLogP1.47
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol
CID 105491077
1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone
CID 84787306
2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid
CID 83903209
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531010
6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol
CID 84787439
6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol
CID 84777802
2-(2-methyl-1,3-benzoxazol-7-yl)-2-oxoacetic acid
CID 117293084
2,7-dimethyl-6H-pyrrolo[2,3-g][1,3]benzoxazole-8-carboxylic acid
CID 96600802
7-fluoro-2,6-dimethyl-1,3-benzoxazole
CID 20785549
N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide
CID 714012
4-(2-methyl-1,3-benzoxazol-6-yl)-4-oxobutanoic acid
CID 82495960

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid (CID 84779330) is 2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid is Cc1nc2ccc(CC(=O)O)c(O)c2o1.
What is the InChIKey of 2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid?
The InChIKey is MYISCAGREGBDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-5-11-7-3-2-6(4-8(12)13)9(14)10(7)15-5/h2-3,14H,4H2,1H3,(H,12,13).
What are the key properties of 2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid?
2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid has a molecular weight of 207.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid is sourced from PubChem (CID 84779330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).