5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine

C10H20N4O2 — CID 106396139

IUPAC5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCCc1ncon1
InChIInChI=1S/C10H20N4O2/c1-15-7-9(3-2-5-11)12-6-4-10-13-8-16-14-10/h8-9,12H,2-7,11H2,1H3
InChIKeyWYISMCWHAHNNSK-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.04
Rot. Bonds9

About 5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine

5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine (PubChem CID 106396139) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine
PubChem CID106396139
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCCc1ncon1
InChIInChI=1S/C10H20N4O2/c1-15-7-9(3-2-5-11)12-6-4-10-13-8-16-14-10/h8-9,12H,2-7,11H2,1H3
InChIKeyWYISMCWHAHNNSK-UHFFFAOYSA-N
XLogP-0.04
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine
CID 106039419
3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 91346812
5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
CID 106391800
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
5-methoxy-4-N-[2-(4-nitrophenyl)ethyl]pentane-1,4-diamine
CID 103389472
5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine
CID 103389871
5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
CID 103389503
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine
CID 103387634
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-2-amine
CID 106400522
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-yn-2-amine
CID 106400759

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine (CID 106396139) is 5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine is COCC(CCCN)NCCc1ncon1.
What is the InChIKey of 5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine?
The InChIKey is WYISMCWHAHNNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-15-7-9(3-2-5-11)12-6-4-10-13-8-16-14-10/h8-9,12H,2-7,11H2,1H3.
What are the key properties of 5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine?
5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine has a molecular weight of 228.30 g/mol, XLogP of -0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine is sourced from PubChem (CID 106396139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).