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

C16H23N3O2 — CID 115958083

IUPAC1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1noc(C(C)C)n1
InChIInChI=1S/C16H23N3O2/c1-10(2)16-18-14(19-21-16)9-20-15-11(3)6-5-7-13(15)8-12(4)17/h5-7,10,12H,8-9,17H2,1-4H3
InChIKeyAEMCHRXCGNWBQE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.97
Rot. Bonds6

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

1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine (PubChem CID 115958083) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
PubChem CID115958083
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1noc(C(C)C)n1
InChIInChI=1S/C16H23N3O2/c1-10(2)16-18-14(19-21-16)9-20-15-11(3)6-5-7-13(15)8-12(4)17/h5-7,10,12H,8-9,17H2,1-4H3
InChIKeyAEMCHRXCGNWBQE-UHFFFAOYSA-N
XLogP2.97
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine
CID 112615436
1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 63325984
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958074
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409
[3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
CID 112612706
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
(1R)-1-[3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 55188676
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 78953139
1-[2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497359
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 112615348
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine (CID 115958083) is 1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine is Cc1cccc(CC(C)N)c1OCc1noc(C(C)C)n1.
What is the InChIKey of 1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is AEMCHRXCGNWBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)16-18-14(19-21-16)9-20-15-11(3)6-5-7-13(15)8-12(4)17/h5-7,10,12H,8-9,17H2,1-4H3.
What are the key properties of 1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 115958083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).