1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine

C14H19N3O2 — CID 61495251

IUPAC1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCC(C)c1noc(COc2ccc(C(C)N)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-9(2)14-16-13(19-17-14)8-18-12-6-4-11(5-7-12)10(3)15/h4-7,9-10H,8,15H2,1-3H3
InChIKeyYPXYYHKISCGSTH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.79
Rot. Bonds5

About 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine

1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 61495251) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID61495251
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCC(C)c1noc(COc2ccc(C(C)N)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-9(2)14-16-13(19-17-14)8-18-12-6-4-11(5-7-12)10(3)15/h4-7,9-10H,8,15H2,1-3H3
InChIKeyYPXYYHKISCGSTH-UHFFFAOYSA-N
XLogP2.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 30591348
1-[3-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495332
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 30029227
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376
ethyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60721315
5-[(4-pentylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 112811277
4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
CID 61495340
5-methyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,2,4-oxadiazole
CID 47025975
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
(1R)-1-[4-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 63650708
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 43503686

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine (CID 61495251) is 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine is CC(C)c1noc(COc2ccc(C(C)N)cc2)n1.
What is the InChIKey of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is YPXYYHKISCGSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)14-16-13(19-17-14)8-18-12-6-4-11(5-7-12)10(3)15/h4-7,9-10H,8,15H2,1-3H3.
What are the key properties of 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 61495251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).