5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid

C12H11N5O3 — CID 166317082

IUPAC5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1noc2ccnc(NCc3cc(C(=O)O)n[nH]3)c12
InChIInChI=1S/C12H11N5O3/c1-6-10-9(20-17-6)2-3-13-11(10)14-5-7-4-8(12(18)19)16-15-7/h2-4H,5H2,1H3,(H,13,14)(H,15,16)(H,18,19)
InChIKeyXNZTUMUMAVLECX-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.56
Rot. Bonds4

About 5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid

5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 166317082) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid
PubChem CID166317082
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1noc2ccnc(NCc3cc(C(=O)O)n[nH]3)c12
InChIInChI=1S/C12H11N5O3/c1-6-10-9(20-17-6)2-3-13-11(10)14-5-7-4-8(12(18)19)16-15-7/h2-4H,5H2,1H3,(H,13,14)(H,15,16)(H,18,19)
InChIKeyXNZTUMUMAVLECX-UHFFFAOYSA-N
XLogP1.56
TPSA116.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid (CID 166317082) is 5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid is Cc1noc2ccnc(NCc3cc(C(=O)O)n[nH]3)c12.
What is the InChIKey of 5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is XNZTUMUMAVLECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-6-10-9(20-17-6)2-3-13-11(10)14-5-7-4-8(12(18)19)16-15-7/h2-4H,5H2,1H3,(H,13,14)(H,15,16)(H,18,19).
What are the key properties of 5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid?
5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 166317082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).