(1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine

C11H11F2N3O2 — CID 97057783

IUPAC(1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(-c2ccc(OC(F)F)cc2)no1
InChIInChI=1S/C11H11F2N3O2/c1-6(14)10-15-9(16-18-10)7-2-4-8(5-3-7)17-11(12)13/h2-6,11H,14H2,1H3/t6-/m1/s1
InChIKeySYUZYSFMMRMWRU-ZCFIWIBFSA-N
MW255.22 g/mol
LogP2.36
Rot. Bonds4

About (1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine

(1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 97057783) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is (1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID97057783
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name(1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(-c2ccc(OC(F)F)cc2)no1
InChIInChI=1S/C11H11F2N3O2/c1-6(14)10-15-9(16-18-10)7-2-4-8(5-3-7)17-11(12)13/h2-6,11H,14H2,1H3/t6-/m1/s1
InChIKeySYUZYSFMMRMWRU-ZCFIWIBFSA-N
XLogP2.36
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106847309
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106847341
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
3-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 120835627
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102548765
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 71756178
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63092751
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 97057783) is (1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine is C[C@@H](N)c1nc(-c2ccc(OC(F)F)cc2)no1.
What is the InChIKey of (1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is SYUZYSFMMRMWRU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-6(14)10-15-9(16-18-10)7-2-4-8(5-3-7)17-11(12)13/h2-6,11H,14H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 255.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 97057783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).