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

C10H20N4O2 — CID 106391800

IUPAC5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1noc(C)n1
InChIInChI=1S/C10H20N4O2/c1-8-13-10(14-16-8)6-12-9(7-15-2)4-3-5-11/h9,12H,3-7,11H2,1-2H3
InChIKeyGKXDVDDLNMHQHW-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.22
Rot. Bonds8

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

5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine (PubChem CID 106391800) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
PubChem CID106391800
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1noc(C)n1
InChIInChI=1S/C10H20N4O2/c1-8-13-10(14-16-8)6-12-9(7-15-2)4-3-5-11/h9,12H,3-7,11H2,1-2H3
InChIKeyGKXDVDDLNMHQHW-UHFFFAOYSA-N
XLogP0.22
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol
CID 106159720
2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 75504570
(2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
CID 100647343
5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 103389917
5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103389928
5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine
CID 106396139
2-amino-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396516
5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine
CID 103389358
5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
CID 103389503
4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 83872807
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
CID 103390035
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine (CID 106391800) is 5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine is COCC(CCCN)NCc1noc(C)n1.
What is the InChIKey of 5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine?
The InChIKey is GKXDVDDLNMHQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-8-13-10(14-16-8)6-12-9(7-15-2)4-3-5-11/h9,12H,3-7,11H2,1-2H3.
What are the key properties of 5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine?
5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 106391800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).