2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

C18H18FN3O2 — CID 167769219

IUPAC2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESNCC(Cc1ccccc1)c1nc(COc2ccc(F)cc2)no1
InChIInChI=1S/C18H18FN3O2/c19-15-6-8-16(9-7-15)23-12-17-21-18(24-22-17)14(11-20)10-13-4-2-1-3-5-13/h1-9,14H,10-12,20H2
InChIKeyWZGVYVRJBYVYLR-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.07
Rot. Bonds7

About 2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (PubChem CID 167769219) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
PubChem CID167769219
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESNCC(Cc1ccccc1)c1nc(COc2ccc(F)cc2)no1
InChIInChI=1S/C18H18FN3O2/c19-15-6-8-16(9-7-15)23-12-17-21-18(24-22-17)14(11-20)10-13-4-2-1-3-5-13/h1-9,14H,10-12,20H2
InChIKeyWZGVYVRJBYVYLR-UHFFFAOYSA-N
XLogP3.07
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-amine
CID 112538903
5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 99818778
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222546
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352262
(2S)-4-methyl-2-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 104916110
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346014
3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120893768
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-methyl-2-phenylpropanoate
CID 46544043
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-ethoxybenzoate
CID 35481608

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The IUPAC name of 2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (CID 167769219) is 2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for 2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The canonical SMILES for 2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is NCC(Cc1ccccc1)c1nc(COc2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The InChIKey is WZGVYVRJBYVYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-15-6-8-16(9-7-15)23-12-17-21-18(24-22-17)14(11-20)10-13-4-2-1-3-5-13/h1-9,14H,10-12,20H2.
What are the key properties of 2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine has a molecular weight of 327.36 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 167769219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).