2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid

C9H8N2O3 — CID 82403023

IUPAC2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid
SMILESCc1onc2c(CC(=O)O)nccc12
InChIInChI=1S/C9H8N2O3/c1-5-6-2-3-10-7(4-8(12)13)9(6)11-14-5/h2-3H,4H2,1H3,(H,12,13)
InChIKeyKISQZBLPWGCKNJ-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.16
Rot. Bonds2

About 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid

2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid (PubChem CID 82403023) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid
PubChem CID82403023
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid
SMILESCc1onc2c(CC(=O)O)nccc12
InChIInChI=1S/C9H8N2O3/c1-5-6-2-3-10-7(4-8(12)13)9(6)11-14-5/h2-3H,4H2,1H3,(H,12,13)
InChIKeyKISQZBLPWGCKNJ-UHFFFAOYSA-N
XLogP1.16
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
2-([1,3]oxazolo[4,5-c]pyridin-4-yl)acetic acid
CID 82410229
2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid
CID 76850504
2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid
CID 84656296
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetic acid
CID 63948422
2-(3-methyl-2H-pyrrolo[3,4-c]pyridin-4-yl)acetic acid
CID 82404170
2-thieno[3,4-c]pyridin-4-ylacetic acid
CID 82402110
2-(1-phenylisoquinolin-5-yl)acetic acid
CID 12851870
2-(3-amino-4-bromo-2-pyridinyl)acetic acid
CID 131117087
2-(2,8-dimethylquinazolin-4-yl)acetic acid
CID 105469517
2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid
CID 105465494

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid (CID 82403023) is 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid is Cc1onc2c(CC(=O)O)nccc12.
What is the InChIKey of 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid?
The InChIKey is KISQZBLPWGCKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5-6-2-3-10-7(4-8(12)13)9(6)11-14-5/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid?
2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid has a molecular weight of 192.17 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid is sourced from PubChem (CID 82403023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).