3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

C14H25N3O3 — CID 116781274

IUPAC3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(C2(OC)CCOCC2)no1)C(C)NC
InChIInChI=1S/C14H25N3O3/c1-5-11(10(2)15-3)12-16-13(17-20-12)14(18-4)6-8-19-9-7-14/h10-11,15H,5-9H2,1-4H3
InChIKeyIPDKNMFIHYMQCU-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.82
Rot. Bonds6

About 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (PubChem CID 116781274) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
PubChem CID116781274
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(C2(OC)CCOCC2)no1)C(C)NC
InChIInChI=1S/C14H25N3O3/c1-5-11(10(2)15-3)12-16-13(17-20-12)14(18-4)6-8-19-9-7-14/h10-11,15H,5-9H2,1-4H3
InChIKeyIPDKNMFIHYMQCU-UHFFFAOYSA-N
XLogP1.82
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612040
(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915552
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899927
5-(1-chloroethyl)-3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 116740050
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781319
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780755
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901861
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 116781227
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733062
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733235
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The IUPAC name of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (CID 116781274) is 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.
What is the SMILES notation for 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The canonical SMILES for 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is CCC(c1nc(C2(OC)CCOCC2)no1)C(C)NC.
What is the InChIKey of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The InChIKey is IPDKNMFIHYMQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-11(10(2)15-3)12-16-13(17-20-12)14(18-4)6-8-19-9-7-14/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine has a molecular weight of 283.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is sourced from PubChem (CID 116781274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).