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

C15H17N3O3 — CID 3866332

IUPAC2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESNC(Cc1ccc(O)cc1)c1nc(C(=O)NC2CC2)co1
InChIInChI=1S/C15H17N3O3/c16-12(7-9-1-5-11(19)6-2-9)15-18-13(8-21-15)14(20)17-10-3-4-10/h1-2,5-6,8,10,12,19H,3-4,7,16H2,(H,17,20)
InChIKeyGAAXVEYBEKQFJE-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.51
Rot. Bonds5

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

2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide (PubChem CID 3866332) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
PubChem CID3866332
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESNC(Cc1ccc(O)cc1)c1nc(C(=O)NC2CC2)co1
InChIInChI=1S/C15H17N3O3/c16-12(7-9-1-5-11(19)6-2-9)15-18-13(8-21-15)14(20)17-10-3-4-10/h1-2,5-6,8,10,12,19H,3-4,7,16H2,(H,17,20)
InChIKeyGAAXVEYBEKQFJE-UHFFFAOYSA-N
XLogP1.51
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 3671354
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2-oxothiolan-3-yl)-1,3-oxazole-4-carboxamide
CID 3868117
2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 3788135
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[3-(dibutylamino)propyl]-1,3-oxazole-4-carboxamide
CID 3833731
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-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
benzyl 2-[[2-[1-amino-2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 3689358
2-(1-amino-2-hydroxypropyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3308744
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide (CID 3866332) is 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide is NC(Cc1ccc(O)cc1)c1nc(C(=O)NC2CC2)co1.
What is the InChIKey of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The InChIKey is GAAXVEYBEKQFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-12(7-9-1-5-11(19)6-2-9)15-18-13(8-21-15)14(20)17-10-3-4-10/h1-2,5-6,8,10,12,19H,3-4,7,16H2,(H,17,20).
What are the key properties of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3866332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).