5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide

C12H10N4O2 — CID 25164674

IUPAC5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1
InChIInChI=1S/C12H10N4O2/c1-13-12(17)10-5-11(18-16-10)7-2-3-9-8(4-7)6-14-15-9/h2-6H,1H3,(H,13,17)(H,14,15)
InChIKeyPYWUGDQVHDHKLX-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.58
Rot. Bonds2

About 5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide

5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 25164674) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID25164674
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1
InChIInChI=1S/C12H10N4O2/c1-13-12(17)10-5-11(18-16-10)7-2-3-9-8(4-7)6-14-15-9/h2-6H,1H3,(H,13,17)(H,14,15)
InChIKeyPYWUGDQVHDHKLX-UHFFFAOYSA-N
XLogP1.58
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide (CID 25164674) is 5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide is CNC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1.
What is the InChIKey of 5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is PYWUGDQVHDHKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-13-12(17)10-5-11(18-16-10)7-2-3-9-8(4-7)6-14-15-9/h2-6H,1H3,(H,13,17)(H,14,15).
What are the key properties of 5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide?
5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-5-yl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25164674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).