2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide

C24H28N4O2 — CID 3788135

IUPAC2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESNC(Cc1ccccc1)c1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)co1
InChIInChI=1S/C24H28N4O2/c25-21(15-18-7-3-1-4-8-18)24-27-22(17-30-24)23(29)26-20-11-13-28(14-12-20)16-19-9-5-2-6-10-19/h1-10,17,20-21H,11-16,25H2,(H,26,29)
InChIKeyMTYUWZNNIKFGIQ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.31
Rot. Bonds7

About 2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide

2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 3788135) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID3788135
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESNC(Cc1ccccc1)c1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)co1
InChIInChI=1S/C24H28N4O2/c25-21(15-18-7-3-1-4-8-18)24-27-22(17-30-24)23(29)26-20-11-13-28(14-12-20)16-19-9-5-2-6-10-19/h1-10,17,20-21H,11-16,25H2,(H,26,29)
InChIKeyMTYUWZNNIKFGIQ-UHFFFAOYSA-N
XLogP3.31
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 3866332
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-(1-benzylpiperidin-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51254704
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
2-(1-amino-2-phenylethyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3844343
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-[(3aR,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 138022360
ethyl 1-[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 3865870
N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide
CID 171911153
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (CID 3788135) is 2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is NC(Cc1ccccc1)c1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)co1.
What is the InChIKey of 2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is MTYUWZNNIKFGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c25-21(15-18-7-3-1-4-8-18)24-27-22(17-30-24)23(29)26-20-11-13-28(14-12-20)16-19-9-5-2-6-10-19/h1-10,17,20-21H,11-16,25H2,(H,26,29).
What are the key properties of 2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3788135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).