3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide

C15H20N4O2 — CID 106387707

IUPAC3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(C)c2ncc(C)o2)c(N)c1
InChIInChI=1S/C15H20N4O2/c1-4-17-14(20)11-5-6-13(12(16)7-11)19-10(3)15-18-8-9(2)21-15/h5-8,10,19H,4,16H2,1-3H3,(H,17,20)
InChIKeyWDPOTUAPIATNHX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.49
Rot. Bonds5

About 3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide

3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide (PubChem CID 106387707) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide
PubChem CID106387707
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(C)c2ncc(C)o2)c(N)c1
InChIInChI=1S/C15H20N4O2/c1-4-17-14(20)11-5-6-13(12(16)7-11)19-10(3)15-18-8-9(2)21-15/h5-8,10,19H,4,16H2,1-3H3,(H,17,20)
InChIKeyWDPOTUAPIATNHX-UHFFFAOYSA-N
XLogP2.49
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387609
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387648
3-chloro-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid
CID 114182553
2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
CID 106387593
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389742
3-chloro-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenecarbothioamide
CID 106388558
4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 63360788
3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100636946
3-hydroxy-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103958365
4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide
CID 63360832
3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
CID 82990428

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide (CID 106387707) is 3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide is CCNC(=O)c1ccc(NC(C)c2ncc(C)o2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide?
The InChIKey is WDPOTUAPIATNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-17-14(20)11-5-6-13(12(16)7-11)19-10(3)15-18-8-9(2)21-15/h5-8,10,19H,4,16H2,1-3H3,(H,17,20).
What are the key properties of 3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide?
3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide is sourced from PubChem (CID 106387707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).