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

C14H19N3O3 — CID 61269478

IUPAC1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OCc2nc(C)no2)c1
InChIInChI=1S/C14H19N3O3/c1-9(15)6-11-4-5-12(18-3)7-13(11)19-8-14-16-10(2)17-20-14/h4-5,7,9H,6,8,15H2,1-3H3
InChIKeyYMQFYVKLIUQVPD-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.86
Rot. Bonds6

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

1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine (PubChem CID 61269478) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
PubChem CID61269478
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OCc2nc(C)no2)c1
InChIInChI=1S/C14H19N3O3/c1-9(15)6-11-4-5-12(18-3)7-13(11)19-8-14-16-10(2)17-20-14/h4-5,7,9H,6,8,15H2,1-3H3
InChIKeyYMQFYVKLIUQVPD-UHFFFAOYSA-N
XLogP1.86
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 82000982
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 54930891
1-[5-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 107701061
(1S)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 82002108
1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine
CID 61269127
1-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60906821
4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 60879201
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326409
3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
CID 61269126
3-(2,4-dimethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 9355901
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine (CID 61269478) is 1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine is COc1ccc(CC(C)N)c(OCc2nc(C)no2)c1.
What is the InChIKey of 1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is YMQFYVKLIUQVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(15)6-11-4-5-12(18-3)7-13(11)19-8-14-16-10(2)17-20-14/h4-5,7,9H,6,8,15H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 277.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 61269478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).