3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide

C15H22N4O3 — CID 138005395

IUPAC3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(C)CNC(=O)c1conc1C(C)(C)N
InChIInChI=1S/C15H22N4O3/c1-8(12-9(2)18-22-10(12)3)6-17-14(20)11-7-21-19-13(11)15(4,5)16/h7-8H,6,16H2,1-5H3,(H,17,20)
InChIKeyRIGOGVIIIKWASI-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.01
Rot. Bonds5

About 3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide

3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide (PubChem CID 138005395) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide
PubChem CID138005395
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(C)CNC(=O)c1conc1C(C)(C)N
InChIInChI=1S/C15H22N4O3/c1-8(12-9(2)18-22-10(12)3)6-17-14(20)11-7-21-19-13(11)15(4,5)16/h7-8H,6,16H2,1-5H3,(H,17,20)
InChIKeyRIGOGVIIIKWASI-UHFFFAOYSA-N
XLogP2.01
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 138034889
3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide
CID 138005373
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide
CID 97240474
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide
CID 154865826
1-cyclopentyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methylpyrazole-4-carboxamide
CID 99606970
2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120993315
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 126774947
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 75387651
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide
CID 126768778
N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 138024898
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 146121769
2-[3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-oxopropyl]benzoic acid
CID 120552321

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide (CID 138005395) is 3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(C)CNC(=O)c1conc1C(C)(C)N.
What is the InChIKey of 3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide?
The InChIKey is RIGOGVIIIKWASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-8(12-9(2)18-22-10(12)3)6-17-14(20)11-7-21-19-13(11)15(4,5)16/h7-8H,6,16H2,1-5H3,(H,17,20).
What are the key properties of 3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide?
3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.01, 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-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 138005395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).