2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide

C21H30N4O3 — CID 3671354

IUPAC2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2coc(C(N)Cc3ccc(O)cc3)n2)CC(C)(C)N1
InChIInChI=1S/C21H30N4O3/c1-20(2)10-14(11-21(3,4)25-20)23-18(27)17-12-28-19(24-17)16(22)9-13-5-7-15(26)8-6-13/h5-8,12,14,16,25-26H,9-11,22H2,1-4H3,(H,23,27)
InChIKeyVBEQLIBBDDDABB-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.66
Rot. Bonds5

About 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide

2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 3671354) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID3671354
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2coc(C(N)Cc3ccc(O)cc3)n2)CC(C)(C)N1
InChIInChI=1S/C21H30N4O3/c1-20(2)10-14(11-21(3,4)25-20)23-18(27)17-12-28-19(24-17)16(22)9-13-5-7-15(26)8-6-13/h5-8,12,14,16,25-26H,9-11,22H2,1-4H3,(H,23,27)
InChIKeyVBEQLIBBDDDABB-UHFFFAOYSA-N
XLogP2.66
TPSA113.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 3866332
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2-oxothiolan-3-yl)-1,3-oxazole-4-carboxamide
CID 3868117
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[3-(dibutylamino)propyl]-1,3-oxazole-4-carboxamide
CID 3833731
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 3788135
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5237705
2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 3865431
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3426251
2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3270325
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-methyl-N-[2-(4-nitrophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3443916
N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide
CID 171911153

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (CID 3671354) is 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is CC1(C)CC(NC(=O)c2coc(C(N)Cc3ccc(O)cc3)n2)CC(C)(C)N1.
What is the InChIKey of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is VBEQLIBBDDDABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-20(2)10-14(11-21(3,4)25-20)23-18(27)17-12-28-19(24-17)16(22)9-13-5-7-15(26)8-6-13/h5-8,12,14,16,25-26H,9-11,22H2,1-4H3,(H,23,27).
What are the key properties of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3671354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).