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

C22H25N3O2 — CID 3798183

IUPAC2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
SMILESNC(Cc1ccccc1)c1nc(C(=O)NCCCCc2ccccc2)co1
InChIInChI=1S/C22H25N3O2/c23-19(15-18-12-5-2-6-13-18)22-25-20(16-27-22)21(26)24-14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,16,19H,7-8,11,14-15,23H2,(H,24,26)
InChIKeyIKGBLWUYZTZNQP-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.67
Rot. Bonds9

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

2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide (PubChem CID 3798183) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
PubChem CID3798183
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
SMILESNC(Cc1ccccc1)c1nc(C(=O)NCCCCc2ccccc2)co1
InChIInChI=1S/C22H25N3O2/c23-19(15-18-12-5-2-6-13-18)22-25-20(16-27-22)21(26)24-14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,16,19H,7-8,11,14-15,23H2,(H,24,26)
InChIKeyIKGBLWUYZTZNQP-UHFFFAOYSA-N
XLogP3.67
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3270325
2-(1-amino-2-phenylethyl)-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 3807301
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 4596847
benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3833643
2-(1-amino-2-phenylethyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3682218
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[3-(dibutylamino)propyl]-1,3-oxazole-4-carboxamide
CID 3833731
2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3426251
benzyl 2-[[2-[1-amino-2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 3689358
2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3704491
2-(1-amino-2-phenylethyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 5185231

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide (CID 3798183) is 2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide is NC(Cc1ccccc1)c1nc(C(=O)NCCCCc2ccccc2)co1.
What is the InChIKey of 2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IKGBLWUYZTZNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c23-19(15-18-12-5-2-6-13-18)22-25-20(16-27-22)21(26)24-14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,16,19H,7-8,11,14-15,23H2,(H,24,26).
What are the key properties of 2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.67, 9 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-phenylbutyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3798183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).