(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

C12H13F2N3O — CID 106531793

IUPAC(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)c2cc(F)cc(F)c2)no1
InChIInChI=1S/C12H13F2N3O/c1-2-3-10-16-12(17-18-10)11(15)7-4-8(13)6-9(14)5-7/h4-6,11H,2-3,15H2,1H3
InChIKeyXGROMHOTVUAUJT-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.35
Rot. Bonds4

About (3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 106531793) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID106531793
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)c2cc(F)cc(F)c2)no1
InChIInChI=1S/C12H13F2N3O/c1-2-3-10-16-12(17-18-10)11(15)7-4-8(13)6-9(14)5-7/h4-6,11H,2-3,15H2,1H3
InChIKeyXGROMHOTVUAUJT-UHFFFAOYSA-N
XLogP2.35
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43753558
phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
CID 54594395
(2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 114064742
(4-cyclopropylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 79980476
(7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559561
(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 63647944
(3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559376
[3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 115351030
(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65101203
(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 63632238
1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704265
(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 43559370

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (CID 106531793) is (3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is CCCc1nc(C(N)c2cc(F)cc(F)c2)no1.
What is the InChIKey of (3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is XGROMHOTVUAUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-2-3-10-16-12(17-18-10)11(15)7-4-8(13)6-9(14)5-7/h4-6,11H,2-3,15H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 253.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 106531793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).