2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H22N4O2 — CID 109010414

IUPAC2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)c1ccc(NCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C16H22N4O2/c1-4-20(5-2)14-8-6-13(7-9-14)17-11-16(21)18-15-10-12(3)22-19-15/h6-10,17H,4-5,11H2,1-3H3,(H,18,19,21)
InChIKeyIQJXDVJOGWNKTJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.88
Rot. Bonds7

About 2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 109010414) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID109010414
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)c1ccc(NCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C16H22N4O2/c1-4-20(5-2)14-8-6-13(7-9-14)17-11-16(21)18-15-10-12(3)22-19-15/h6-10,17H,4-5,11H2,1-3H3,(H,18,19,21)
InChIKeyIQJXDVJOGWNKTJ-UHFFFAOYSA-N
XLogP2.88
TPSA70.40 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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
2-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47121660
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)acetamide
CID 39912338
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007429
N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 37475742
2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51178299
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113180495
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200907
N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)furan-3-carboxamide
CID 155524035

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 109010414) is 2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCN(CC)c1ccc(NCC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IQJXDVJOGWNKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-20(5-2)14-8-6-13(7-9-14)17-11-16(21)18-15-10-12(3)22-19-15/h6-10,17H,4-5,11H2,1-3H3,(H,18,19,21).
What are the key properties of 2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 109010414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).