3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide

C18H26N4O2 — CID 138005373

IUPAC3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide
SMILESCC(CNC(=O)c1conc1C(C)(C)N)N(C)Cc1ccccc1
InChIInChI=1S/C18H26N4O2/c1-13(22(4)11-14-8-6-5-7-9-14)10-20-17(23)15-12-24-21-16(15)18(2,3)19/h5-9,12-13H,10-11,19H2,1-4H3,(H,20,23)
InChIKeyYMWGSYNCIQIKIX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.12
Rot. Bonds7

About 3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide

3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide (PubChem CID 138005373) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide
PubChem CID138005373
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide
SMILESCC(CNC(=O)c1conc1C(C)(C)N)N(C)Cc1ccccc1
InChIInChI=1S/C18H26N4O2/c1-13(22(4)11-14-8-6-5-7-9-14)10-20-17(23)15-12-24-21-16(15)18(2,3)19/h5-9,12-13H,10-11,19H2,1-4H3,(H,20,23)
InChIKeyYMWGSYNCIQIKIX-UHFFFAOYSA-N
XLogP2.12
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide
CID 164636328
(2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide
CID 119885709
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-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide
CID 131141172
N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119885715
1-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111780408
N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86934070
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
tert-butyl N-[4-amino-3-[benzyl(methyl)amino]-2-methylbutyl]carbamate
CID 130604556
1-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473675
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide (CID 138005373) is 3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide is CC(CNC(=O)c1conc1C(C)(C)N)N(C)Cc1ccccc1.
What is the InChIKey of 3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide?
The InChIKey is YMWGSYNCIQIKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(22(4)11-14-8-6-5-7-9-14)10-20-17(23)15-12-24-21-16(15)18(2,3)19/h5-9,12-13H,10-11,19H2,1-4H3,(H,20,23).
What are the key properties of 3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide?
3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 138005373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).