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

C14H19N3O2 — CID 60879201

IUPAC4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
SMILESCc1noc(COc2ccc(CCC(C)N)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-10(15)3-4-12-5-7-13(8-6-12)18-9-14-16-11(2)17-19-14/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyDXQHNLBARLEWCH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.24
Rot. Bonds6

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

4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine (PubChem CID 60879201) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
PubChem CID60879201
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
SMILESCc1noc(COc2ccc(CCC(C)N)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-10(15)3-4-12-5-7-13(8-6-12)18-9-14-16-11(2)17-19-14/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyDXQHNLBARLEWCH-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

2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931052
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376
4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
CID 61495340
4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
CID 43504099
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 43503686
[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol
CID 110906702
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 54930891
4-(4-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 61013750
4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 60878632
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
CID 82916377
(2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide
CID 119782500

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine (CID 60879201) is 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine is Cc1noc(COc2ccc(CCC(C)N)cc2)n1.
What is the InChIKey of 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is DXQHNLBARLEWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(15)3-4-12-5-7-13(8-6-12)18-9-14-16-11(2)17-19-14/h5-8,10H,3-4,9,15H2,1-2H3.
What are the key properties of 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine?
4-[4-[(3-methyl-1,2,4-oxadiazol-5-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 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 60879201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).