1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine

C15H21N3O3 — CID 60907255

IUPAC1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2nnc(C)o2)c(OC)c1
InChIInChI=1S/C15H21N3O3/c1-4-12(16)7-11-5-6-13(14(8-11)19-3)20-9-15-18-17-10(2)21-15/h5-6,8,12H,4,7,9,16H2,1-3H3
InChIKeyKRAISZWRESDQPJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.25
Rot. Bonds7

About 1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine

1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine (PubChem CID 60907255) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine
PubChem CID60907255
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2nnc(C)o2)c(OC)c1
InChIInChI=1S/C15H21N3O3/c1-4-12(16)7-11-5-6-13(14(8-11)19-3)20-9-15-18-17-10(2)21-15/h5-6,8,12H,4,7,9,16H2,1-3H3
InChIKeyKRAISZWRESDQPJ-UHFFFAOYSA-N
XLogP2.25
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
CID 60908029
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60880953
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
CID 60906795
1-[3-(2-bromoprop-2-enoxy)-4-methoxyphenyl]butan-2-amine
CID 54929465
1-[4-[(E)-but-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 54928940
1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
CID 81114497
1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine
CID 60906591
[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782963
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455589
1-(3-methoxy-4-prop-2-ynoxyphenyl)butan-2-amine;hydrochloride
CID 170889669

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine (CID 60907255) is 1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1ccc(OCc2nnc(C)o2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is KRAISZWRESDQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-12(16)7-11-5-6-13(14(8-11)19-3)20-9-15-18-17-10(2)21-15/h5-6,8,12H,4,7,9,16H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine?
1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 291.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 60907255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).