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

C14H18BrN3O2 — CID 102947252

IUPAC(1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(C)c1nc(COc2cc(Br)ccc2[C@H](C)N)no1
InChIInChI=1S/C14H18BrN3O2/c1-8(2)14-17-13(18-20-14)7-19-12-6-10(15)4-5-11(12)9(3)16/h4-6,8-9H,7,16H2,1-3H3/t9-/m0/s1
InChIKeyRYHOPXHRUWEMSV-VIFPVBQESA-N
MW340.22 g/mol
LogP3.55
Rot. Bonds5

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

(1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 102947252) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is (1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID102947252
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name(1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(C)c1nc(COc2cc(Br)ccc2[C@H](C)N)no1
InChIInChI=1S/C14H18BrN3O2/c1-8(2)14-17-13(18-20-14)7-19-12-6-10(15)4-5-11(12)9(3)16/h4-6,8-9H,7,16H2,1-3H3/t9-/m0/s1
InChIKeyRYHOPXHRUWEMSV-VIFPVBQESA-N
XLogP3.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine with MolForge

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Related Compounds

(1S)-1-[4-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78935724
1-[2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497359
1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 102946181
5-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82916766
1-[5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 62370024
(1S)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107718894
(1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 102946793
(1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 63650770
(1R)-1-[4-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 102946677
1-[3-methoxy-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497402
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
1-[4-bromo-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 102946440

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (CID 102947252) is (1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine is CC(C)c1nc(COc2cc(Br)ccc2[C@H](C)N)no1.
What is the InChIKey of (1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is RYHOPXHRUWEMSV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-8(2)14-17-13(18-20-14)7-19-12-6-10(15)4-5-11(12)9(3)16/h4-6,8-9H,7,16H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
(1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 340.22 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102947252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).