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

C15H21N3O2 — CID 63326402

IUPAC2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1ccc(OCc2nc(C(C)C)no2)c(CCN)c1
InChIInChI=1S/C15H21N3O2/c1-10(2)15-17-14(20-18-15)9-19-13-5-4-11(3)8-12(13)6-7-16/h4-5,8,10H,6-7,9,16H2,1-3H3
InChIKeyCKZNHAALYGOWOP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.58
Rot. Bonds6

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

2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 63326402) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID63326402
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1ccc(OCc2nc(C(C)C)no2)c(CCN)c1
InChIInChI=1S/C15H21N3O2/c1-10(2)15-17-14(20-18-15)9-19-13-5-4-11(3)8-12(13)6-7-16/h4-5,8,10H,6-7,9,16H2,1-3H3
InChIKeyCKZNHAALYGOWOP-UHFFFAOYSA-N
XLogP2.58
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78933395
(1R)-1-[4-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 63650708
2-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931327
2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 63325788
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326409
2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 55201494
1-[3-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495332
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
[3,5-dimethyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495368
2-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 63985124
5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 61379423

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine (CID 63326402) is 2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine is Cc1ccc(OCc2nc(C(C)C)no2)c(CCN)c1.
What is the InChIKey of 2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is CKZNHAALYGOWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)15-17-14(20-18-15)9-19-13-5-4-11(3)8-12(13)6-7-16/h4-5,8,10H,6-7,9,16H2,1-3H3.
What are the key properties of 2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine?
2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63326402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).