[2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate

C11H8N4O4 — CID 69351183

IUPAC[2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate
SMILESNc1n[nH]c2ccc(-c3nc(OC(=O)O)co3)cc12
InChIInChI=1S/C11H8N4O4/c12-9-6-3-5(1-2-7(6)14-15-9)10-13-8(4-18-10)19-11(16)17/h1-4H,(H,16,17)(H3,12,14,15)
InChIKeyNZGNLRAONWEAOW-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.86
Rot. Bonds2

About [2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate

[2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate (PubChem CID 69351183) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is [2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate
PubChem CID69351183
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC Name[2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate
SMILESNc1n[nH]c2ccc(-c3nc(OC(=O)O)co3)cc12
InChIInChI=1S/C11H8N4O4/c12-9-6-3-5(1-2-7(6)14-15-9)10-13-8(4-18-10)19-11(16)17/h1-4H,(H,16,17)(H3,12,14,15)
InChIKeyNZGNLRAONWEAOW-UHFFFAOYSA-N
XLogP1.86
TPSA127.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 11625034
2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane
CID 143156346
2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide
CID 11558446
4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one
CID 16661436
5-(4-tert-butylphenyl)-1H-indazol-3-amine
CID 11658999
1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one
CID 70998413
5-(3-amino-1H-indazol-5-yl)-N-ethyl-1,3,4-oxadiazol-2-amine
CID 25108868
2-(3-amino-1H-indazol-6-yl)-N-[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 69233196
5-[4-(dimethylamino)phenyl]-1H-indazol-3-amine
CID 11637416
2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide
CID 11565619
5-pyridin-3-yl-1H-indazol-3-amine
CID 59023862
3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid
CID 68797274

Frequently Asked Questions

What is the IUPAC name of [2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate?
The IUPAC name of [2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate (CID 69351183) is [2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate.
What is the SMILES notation for [2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate?
The canonical SMILES for [2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate is Nc1n[nH]c2ccc(-c3nc(OC(=O)O)co3)cc12.
What is the InChIKey of [2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate?
The InChIKey is NZGNLRAONWEAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4/c12-9-6-3-5(1-2-7(6)14-15-9)10-13-8(4-18-10)19-11(16)17/h1-4H,(H,16,17)(H3,12,14,15).
What are the key properties of [2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate?
[2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate has a molecular weight of 260.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate is sourced from PubChem (CID 69351183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).