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

C16H21N3O2 — CID 4596847

IUPAC2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCCCc2ccccc2)co1
InChIInChI=1S/C16H21N3O2/c17-10-9-15-19-14(12-21-15)16(20)18-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11,17H2,(H,18,20)
InChIKeyCBIQCMXYDJFETL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.93
Rot. Bonds8

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

2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide (PubChem CID 4596847) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
PubChem CID4596847
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCCCc2ccccc2)co1
InChIInChI=1S/C16H21N3O2/c17-10-9-15-19-14(12-21-15)16(20)18-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11,17H2,(H,18,20)
InChIKeyCBIQCMXYDJFETL-UHFFFAOYSA-N
XLogP1.93
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.93
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-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3671198
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 3858413
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3847956
2-(2-aminoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424318
N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3771092
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424319
2-(aminomethyl)-N-(5-phenylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119772378
2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 29088068
N-(4-phenylbutyl)quinoxaline-2-carboxamide
CID 22136414

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide (CID 4596847) is 2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide is NCCc1nc(C(=O)NCCCCc2ccccc2)co1.
What is the InChIKey of 2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CBIQCMXYDJFETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-10-9-15-19-14(12-21-15)16(20)18-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11,17H2,(H,18,20).
What are the key properties of 2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide?
2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4596847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).