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

C14H19N3O2 — CID 54930573

IUPAC1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2noc(C)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-3-12(15)8-11-4-6-13(7-5-11)18-9-14-16-10(2)19-17-14/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeySTDRVESDTQVVQE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.24
Rot. Bonds6

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

1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine (PubChem CID 54930573) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine
PubChem CID54930573
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2noc(C)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-3-12(15)8-11-4-6-13(7-5-11)18-9-14-16-10(2)19-17-14/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeySTDRVESDTQVVQE-UHFFFAOYSA-N
XLogP2.24
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 60877880
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 50988182
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79800090
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54930620
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butanamide
CID 120500670
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 61495662
(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 55586338
1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 54930396
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine (CID 54930573) is 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1ccc(OCc2noc(C)n2)cc1.
What is the InChIKey of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is STDRVESDTQVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-12(15)8-11-4-6-13(7-5-11)18-9-14-16-10(2)19-17-14/h4-7,12H,3,8-9,15H2,1-2H3.
What are the key properties of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine?
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 54930573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).