2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide

C16H22N4O2 — CID 3864472

IUPAC2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1coc(-c2ccc(N)cc2)n1
InChIInChI=1S/C16H22N4O2/c1-3-20(4-2)10-9-18-15(21)14-11-22-16(19-14)12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10,17H2,1-2H3,(H,18,21)
InChIKeyXQPSYUCIWBSCJJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.00
Rot. Bonds7

About 2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide

2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 3864472) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID3864472
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1coc(-c2ccc(N)cc2)n1
InChIInChI=1S/C16H22N4O2/c1-3-20(4-2)10-9-18-15(21)14-11-22-16(19-14)12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10,17H2,1-2H3,(H,18,21)
InChIKeyXQPSYUCIWBSCJJ-UHFFFAOYSA-N
XLogP2.00
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962
2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide
CID 3872955
2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 5165501
2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3866343
2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3812541
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
1-(4-aminophenyl)-N-[2-(diethylamino)ethyl]isoquinoline-4-carboxamide
CID 54413039
2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3835810
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide
CID 142161933
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 111437218

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide (CID 3864472) is 2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide is CCN(CC)CCNC(=O)c1coc(-c2ccc(N)cc2)n1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XQPSYUCIWBSCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-20(4-2)10-9-18-15(21)14-11-22-16(19-14)12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10,17H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide?
2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3864472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).