3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide

C16H19N5O2 — CID 166261976

IUPAC3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCC(C)(N)c1nocc1C(=O)NCCn1ncc2ccccc21
InChIInChI=1S/C16H19N5O2/c1-16(2,17)14-12(10-23-20-14)15(22)18-7-8-21-13-6-4-3-5-11(13)9-19-21/h3-6,9-10H,7-8,17H2,1-2H3,(H,18,22)
InChIKeyNHRMZIBVOZYVAI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.65
Rot. Bonds5

About 3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide

3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 166261976) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID166261976
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCC(C)(N)c1nocc1C(=O)NCCn1ncc2ccccc21
InChIInChI=1S/C16H19N5O2/c1-16(2,17)14-12(10-23-20-14)15(22)18-7-8-21-13-6-4-3-5-11(13)9-19-21/h3-6,9-10H,7-8,17H2,1-2H3,(H,18,22)
InChIKeyNHRMZIBVOZYVAI-UHFFFAOYSA-N
XLogP1.65
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715
tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate
CID 167968604
methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride
CID 119031514
4-indazol-1-yl-2-methylbutan-2-ol
CID 79360866
6-indazol-1-yl-2,2-dimethylhexanoic acid
CID 106714165
2-amino-5-indazol-1-yl-2-methylpentan-1-ol
CID 64811283
3-indazol-1-ylpropanoic acid
CID 805922
4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 62139653
1-propylindazole
CID 18695497
3-indazol-1-ylpropanoate
CID 5147223
3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide
CID 138005395
N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 62564894

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide (CID 166261976) is 3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide is CC(C)(N)c1nocc1C(=O)NCCn1ncc2ccccc21.
What is the InChIKey of 3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is NHRMZIBVOZYVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-16(2,17)14-12(10-23-20-14)15(22)18-7-8-21-13-6-4-3-5-11(13)9-19-21/h3-6,9-10H,7-8,17H2,1-2H3,(H,18,22).
What are the key properties of 3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide?
3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-N-(2-indazol-1-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166261976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).