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

C15H27N3O3 — CID 116781279

IUPACN-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(Cc1nc(C2(OC)CCOCC2)no1)NCC
InChIInChI=1S/C15H27N3O3/c1-4-6-12(16-5-2)11-13-17-14(18-21-13)15(19-3)7-9-20-10-8-15/h12,16H,4-11H2,1-3H3
InChIKeyJNUOIXRYYXEIKN-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.04
Rot. Bonds8

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

N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 116781279) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID116781279
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(Cc1nc(C2(OC)CCOCC2)no1)NCC
InChIInChI=1S/C15H27N3O3/c1-4-6-12(16-5-2)11-13-17-14(18-21-13)15(19-3)7-9-20-10-8-15/h12,16H,4-11H2,1-3H3
InChIKeyJNUOIXRYYXEIKN-UHFFFAOYSA-N
XLogP2.04
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612017
N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 104612027
N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116781208
N-ethyl-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116733043
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80680961
1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780737
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107
N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 63348276
1-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116742003
2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742001
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 104612019
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 116781279) is N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(Cc1nc(C2(OC)CCOCC2)no1)NCC.
What is the InChIKey of N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is JNUOIXRYYXEIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-6-12(16-5-2)11-13-17-14(18-21-13)15(19-3)7-9-20-10-8-15/h12,16H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 297.40 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 116781279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).