N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C20H23N3O3 — CID 110304153

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(C(CNC(=O)c2cc(-c3ccco3)on2)N(C)C)cc1
InChIInChI=1S/C20H23N3O3/c1-4-14-7-9-15(10-8-14)17(23(2)3)13-21-20(24)16-12-19(26-22-16)18-6-5-11-25-18/h5-12,17H,4,13H2,1-3H3,(H,21,24)
InChIKeyWXLNLGJXGZOQOA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 110304153) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID110304153
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(C(CNC(=O)c2cc(-c3ccco3)on2)N(C)C)cc1
InChIInChI=1S/C20H23N3O3/c1-4-14-7-9-15(10-8-14)17(23(2)3)13-21-20(24)16-12-19(26-22-16)18-6-5-11-25-18/h5-12,17H,4,13H2,1-3H3,(H,21,24)
InChIKeyWXLNLGJXGZOQOA-UHFFFAOYSA-N
XLogP3.53
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110307679
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103770495
N-[(2R)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 26833910
N-[(2S)-2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 35582660
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866714
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 51922914
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 110304153) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CCc1ccc(C(CNC(=O)c2cc(-c3ccco3)on2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is WXLNLGJXGZOQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-14-7-9-15(10-8-14)17(23(2)3)13-21-20(24)16-12-19(26-22-16)18-6-5-11-25-18/h5-12,17H,4,13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110304153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).