2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine

C17H20N4O — CID 67041405

IUPAC2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine
SMILESCCCCc1cc(Cc2nc3ccccc3c(N)c2N)no1
InChIInChI=1S/C17H20N4O/c1-2-3-6-12-9-11(21-22-12)10-15-17(19)16(18)13-7-4-5-8-14(13)20-15/h4-5,7-9H,2-3,6,10,19H2,1H3,(H2,18,20)
InChIKeyBPRTWJIUOBIJKS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.32
Rot. Bonds5

About 2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine

2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine (PubChem CID 67041405) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine
PubChem CID67041405
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine
SMILESCCCCc1cc(Cc2nc3ccccc3c(N)c2N)no1
InChIInChI=1S/C17H20N4O/c1-2-3-6-12-9-11(21-22-12)10-15-17(19)16(18)13-7-4-5-8-14(13)20-15/h4-5,7-9H,2-3,6,10,19H2,1H3,(H2,18,20)
InChIKeyBPRTWJIUOBIJKS-UHFFFAOYSA-N
XLogP3.32
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine?
The IUPAC name of 2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine (CID 67041405) is 2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine.
What is the SMILES notation for 2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine?
The canonical SMILES for 2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine is CCCCc1cc(Cc2nc3ccccc3c(N)c2N)no1.
What is the InChIKey of 2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine?
The InChIKey is BPRTWJIUOBIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-3-6-12-9-11(21-22-12)10-15-17(19)16(18)13-7-4-5-8-14(13)20-15/h4-5,7-9H,2-3,6,10,19H2,1H3,(H2,18,20).
What are the key properties of 2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine?
2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine has a molecular weight of 296.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine is sourced from PubChem (CID 67041405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).