1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine

C15H21N3O3 — CID 60906666

IUPAC1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
SMILESCCOc1cc(CC(N)CC)ccc1OCc1ncon1
InChIInChI=1S/C15H21N3O3/c1-3-12(16)7-11-5-6-13(14(8-11)19-4-2)20-9-15-17-10-21-18-15/h5-6,8,10,12H,3-4,7,9,16H2,1-2H3
InChIKeyHILSNXCPOSXRFI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.33
Rot. Bonds8

About 1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine

1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine (PubChem CID 60906666) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
PubChem CID60906666
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
SMILESCCOc1cc(CC(N)CC)ccc1OCc1ncon1
InChIInChI=1S/C15H21N3O3/c1-3-12(16)7-11-5-6-13(14(8-11)19-4-2)20-9-15-17-10-21-18-15/h5-6,8,10,12H,3-4,7,9,16H2,1-2H3
InChIKeyHILSNXCPOSXRFI-UHFFFAOYSA-N
XLogP2.33
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-bromo-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
CID 63050827
1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
CID 79888395
[4-(2-aminobutyl)-2-ethoxyphenyl] acetate
CID 170889343
1-(4-chloro-3-ethoxyphenyl)butan-2-amine
CID 118252081
1-(3-ethoxy-4-pent-3-ynoxyphenyl)butan-2-amine
CID 104807754
(1R)-1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 78936809
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 62075077
1-(3-tert-butyl-4-ethoxyphenyl)butan-2-amine
CID 170889673
1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60908446
1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 60879008
1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride
CID 170890481
1-[4-ethoxy-3-(trifluoromethyl)phenyl]butan-2-amine;hydrochloride
CID 170890489

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine (CID 60906666) is 1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine is CCOc1cc(CC(N)CC)ccc1OCc1ncon1.
What is the InChIKey of 1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is HILSNXCPOSXRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-12(16)7-11-5-6-13(14(8-11)19-4-2)20-9-15-17-10-21-18-15/h5-6,8,10,12H,3-4,7,9,16H2,1-2H3.
What are the key properties of 1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine?
1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 291.35 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 60906666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).