N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine

C14H16FN3O2 — CID 107922484

IUPACN-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCOc1cc(-c2noc(CCNC3CC3)n2)ccc1F
InChIInChI=1S/C14H16FN3O2/c1-19-12-8-9(2-5-11(12)15)14-17-13(20-18-14)6-7-16-10-3-4-10/h2,5,8,10,16H,3-4,6-7H2,1H3
InChIKeyGWKMKSRLBSKDNL-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.18
Rot. Bonds6

About N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine

N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 107922484) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID107922484
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCOc1cc(-c2noc(CCNC3CC3)n2)ccc1F
InChIInChI=1S/C14H16FN3O2/c1-19-12-8-9(2-5-11(12)15)14-17-13(20-18-14)6-7-16-10-3-4-10/h2,5,8,10,16H,3-4,6-7H2,1H3
InChIKeyGWKMKSRLBSKDNL-UHFFFAOYSA-N
XLogP2.18
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810030
3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 104880887
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107922483
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 62716288
N-[[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 107922415
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 83285433
N-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 115533103
2-[[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetonitrile
CID 104676934
N-[[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 107923063
3-(4-fluoro-3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 82626483
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 107923168

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 107922484) is N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is COc1cc(-c2noc(CCNC3CC3)n2)ccc1F.
What is the InChIKey of N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is GWKMKSRLBSKDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-19-12-8-9(2-5-11(12)15)14-17-13(20-18-14)6-7-16-10-3-4-10/h2,5,8,10,16H,3-4,6-7H2,1H3.
What are the key properties of N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 277.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 107922484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).