3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide

C19H27N3O2 — CID 164636328

IUPAC3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide
SMILESCCC[C@@H](CCc1ccccc1)NC(=O)c1conc1C(C)(C)N
InChIInChI=1S/C19H27N3O2/c1-4-8-15(12-11-14-9-6-5-7-10-14)21-18(23)16-13-24-22-17(16)19(2,3)20/h5-7,9-10,13,15H,4,8,11-12,20H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyWZIDQSKRFLVUGE-HNNXBMFYSA-N
MW329.44 g/mol
LogP3.40
Rot. Bonds8

About 3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide

3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 164636328) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID164636328
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide
SMILESCCC[C@@H](CCc1ccccc1)NC(=O)c1conc1C(C)(C)N
InChIInChI=1S/C19H27N3O2/c1-4-8-15(12-11-14-9-6-5-7-10-14)21-18(23)16-13-24-22-17(16)19(2,3)20/h5-7,9-10,13,15H,4,8,11-12,20H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyWZIDQSKRFLVUGE-HNNXBMFYSA-N
XLogP3.40
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide
CID 138005373
3-[(2-amino-4-phenylbutanoyl)amino]hexanoic acid
CID 114929257
(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide
CID 167881272
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]hexanoic acid
CID 104984718
N-[(2R)-1-amino-4-phenylbutan-2-yl]-2-phenylbenzamide
CID 68727278
(Z)-4-oxo-4-(1-phenylhexan-3-ylamino)but-2-enoic acid
CID 102248926
4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide
CID 167903936
N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
CID 65191381
N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68726589
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide (CID 164636328) is 3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide is CCC[C@@H](CCc1ccccc1)NC(=O)c1conc1C(C)(C)N.
What is the InChIKey of 3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is WZIDQSKRFLVUGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-8-15(12-11-14-9-6-5-7-10-14)21-18(23)16-13-24-22-17(16)19(2,3)20/h5-7,9-10,13,15H,4,8,11-12,20H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide?
3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-N-[(3S)-1-phenylhexan-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 164636328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).