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

C15H20N4O2 — CID 106369443

IUPAC4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCc2ncc(CC)o2)c1
InChIInChI=1S/C15H20N4O2/c1-3-11-8-19-14(21-11)9-18-13-7-10(5-6-12(13)16)15(20)17-4-2/h5-8,18H,3-4,9,16H2,1-2H3,(H,17,20)
InChIKeyMQMKIIWZYZDPOQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.18
Rot. Bonds6

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

4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide (PubChem CID 106369443) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide
PubChem CID106369443
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCc2ncc(CC)o2)c1
InChIInChI=1S/C15H20N4O2/c1-3-11-8-19-14(21-11)9-18-13-7-10(5-6-12(13)16)15(20)17-4-2/h5-8,18H,3-4,9,16H2,1-2H3,(H,17,20)
InChIKeyMQMKIIWZYZDPOQ-UHFFFAOYSA-N
XLogP2.18
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.18
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

3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 106369571
4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 63360539
methyl 4-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzoate
CID 114180877
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377037
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106375670
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxy-4-methoxybenzamide
CID 106372869
4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 63360977
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate
CID 84588372
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
1-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 114179972

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide (CID 106369443) is 4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide is CCNC(=O)c1ccc(N)c(NCc2ncc(CC)o2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide?
The InChIKey is MQMKIIWZYZDPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-11-8-19-14(21-11)9-18-13-7-10(5-6-12(13)16)15(20)17-4-2/h5-8,18H,3-4,9,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide?
4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 106369443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).