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

C13H17N3O2 — CID 60877880

IUPAC1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OCc2noc(C)n2)cc1
InChIInChI=1S/C13H17N3O2/c1-3-12(14)10-4-6-11(7-5-10)17-8-13-15-9(2)18-16-13/h4-7,12H,3,8,14H2,1-2H3
InChIKeyPMBQTMZAVMXCBR-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.37
Rot. Bonds5

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

1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine (PubChem CID 60877880) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
PubChem CID60877880
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OCc2noc(C)n2)cc1
InChIInChI=1S/C13H17N3O2/c1-3-12(14)10-4-6-11(7-5-10)17-8-13-15-9(2)18-16-13/h4-7,12H,3,8,14H2,1-2H3
InChIKeyPMBQTMZAVMXCBR-UHFFFAOYSA-N
XLogP2.37
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.37
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]butan-2-amine
CID 54930573
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 50988182
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79800090
(1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 78937022
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butanamide
CID 120500670
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 60880329
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide
CID 119780074
1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 113389423

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine (CID 60877880) is 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine is CCC(N)c1ccc(OCc2noc(C)n2)cc1.
What is the InChIKey of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is PMBQTMZAVMXCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-12(14)10-4-6-11(7-5-10)17-8-13-15-9(2)18-16-13/h4-7,12H,3,8,14H2,1-2H3.
What are the key properties of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine?
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 2.37, 5 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]propan-1-amine is sourced from PubChem (CID 60877880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).