[4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine

C10H9F2N3O2 — CID 43559147

IUPAC[4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1ccc(OC(F)F)cc1)c1ncon1
InChIInChI=1S/C10H9F2N3O2/c11-10(12)17-7-3-1-6(2-4-7)8(13)9-14-5-16-15-9/h1-5,8,10H,13H2
InChIKeyRJODNLTVDUSPJI-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.72
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine

[4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559147) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559147
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name[4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1ccc(OC(F)F)cc1)c1ncon1
InChIInChI=1S/C10H9F2N3O2/c11-10(12)17-7-3-1-6(2-4-7)8(13)9-14-5-16-15-9/h1-5,8,10H,13H2
InChIKeyRJODNLTVDUSPJI-UHFFFAOYSA-N
XLogP1.72
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine
CID 54932919
(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 43167241
(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 4961731
[4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine
CID 115860590
(3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine
CID 60874664
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 43559200
(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171225773
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine
CID 43322441
(4-propan-2-yloxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 60916940
(2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105396878
(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 80534844

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine (CID 43559147) is [4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine is NC(c1ccc(OC(F)F)cc1)c1ncon1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is RJODNLTVDUSPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c11-10(12)17-7-3-1-6(2-4-7)8(13)9-14-5-16-15-9/h1-5,8,10H,13H2.
What are the key properties of [4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine?
[4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 241.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).