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

C20H21N3O2 — CID 3426251

IUPAC2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2coc(C(N)Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-14-8-10-16(11-9-14)22-19(24)18-13-25-20(23-18)17(21)12-15-6-4-3-5-7-15/h3-11,13,17H,2,12,21H2,1H3,(H,22,24)
InChIKeyWYZDQGZRHRGGMA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.73
Rot. Bonds6

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

2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3426251) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3426251
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2coc(C(N)Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-14-8-10-16(11-9-14)22-19(24)18-13-25-20(23-18)17(21)12-15-6-4-3-5-7-15/h3-11,13,17H,2,12,21H2,1H3,(H,22,24)
InChIKeyWYZDQGZRHRGGMA-UHFFFAOYSA-N
XLogP3.73
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-phenylethyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3844343
2-(1-amino-2-phenylethyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 5185231
2-(1-amino-2-phenylethyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3682218
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
2-(1-amino-3-methylbutyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3791845
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776
2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3270325
2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3780432
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3674009
benzyl 2-[[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798181
N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide
CID 3862852

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide (CID 3426251) is 2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide is CCc1ccc(NC(=O)c2coc(C(N)Cc3ccccc3)n2)cc1.
What is the InChIKey of 2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WYZDQGZRHRGGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-14-8-10-16(11-9-14)22-19(24)18-13-25-20(23-18)17(21)12-15-6-4-3-5-7-15/h3-11,13,17H,2,12,21H2,1H3,(H,22,24).
What are the key properties of 2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3426251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).