3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol

C11H11F2N3O2 — CID 125139450

IUPAC3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol
SMILESC[C@@H](Nc1nnc(C(F)F)o1)c1cccc(O)c1
InChIInChI=1S/C11H11F2N3O2/c1-6(7-3-2-4-8(17)5-7)14-11-16-15-10(18-11)9(12)13/h2-6,9,17H,1H3,(H,14,16)/t6-/m1/s1
InChIKeyXKXDGAYGTPSUII-ZCFIWIBFSA-N
MW255.22 g/mol
LogP2.89
Rot. Bonds4

About 3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol

3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol (PubChem CID 125139450) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol
PubChem CID125139450
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol
SMILESC[C@@H](Nc1nnc(C(F)F)o1)c1cccc(O)c1
InChIInChI=1S/C11H11F2N3O2/c1-6(7-3-2-4-8(17)5-7)14-11-16-15-10(18-11)9(12)13/h2-6,9,17H,1H3,(H,14,16)/t6-/m1/s1
InChIKeyXKXDGAYGTPSUII-ZCFIWIBFSA-N
XLogP2.89
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971201
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831
5-(1-chloroethyl)-N-(1-pyridin-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956656
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethyl]phenol
CID 43193625
2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
CID 64793713
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
3-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]ethyl]phenol
CID 43681827
3-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206455
3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol
CID 104775910

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol?
The IUPAC name of 3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol (CID 125139450) is 3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol?
The canonical SMILES for 3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol is C[C@@H](Nc1nnc(C(F)F)o1)c1cccc(O)c1.
What is the InChIKey of 3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol?
The InChIKey is XKXDGAYGTPSUII-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-6(7-3-2-4-8(17)5-7)14-11-16-15-10(18-11)9(12)13/h2-6,9,17H,1H3,(H,14,16)/t6-/m1/s1.
What are the key properties of 3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol?
3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol has a molecular weight of 255.22 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 125139450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).