N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C13H12N4O2 — CID 6465956

IUPACN-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H12N4O2/c1-7-12(8(2)19-17-7)13(18)15-10-3-4-11-9(5-10)6-14-16-11/h3-6H,1-2H3,(H,14,16)(H,15,18)
InChIKeyXKEHUVUDXINMOI-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.42
Rot. Bonds2

About N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 6465956) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID6465956
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H12N4O2/c1-7-12(8(2)19-17-7)13(18)15-10-3-4-11-9(5-10)6-14-16-11/h3-6H,1-2H3,(H,14,16)(H,15,18)
InChIKeyXKEHUVUDXINMOI-UHFFFAOYSA-N
XLogP2.42
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 6465956) is N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is XKEHUVUDXINMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-7-12(8(2)19-17-7)13(18)15-10-3-4-11-9(5-10)6-14-16-11/h3-6H,1-2H3,(H,14,16)(H,15,18).
What are the key properties of N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 6465956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).