2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole

C16H13ClN2O2 — CID 8536931

IUPAC2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole
SMILESC[C@@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O2/c1-11(14-4-2-3-5-15(14)17)21-13-8-6-12(7-9-13)16-19-18-10-20-16/h2-11H,1H3/t11-/m1/s1
InChIKeyRJCHRTDHUMXMLA-LLVKDONJSA-N
MW300.75 g/mol
LogP4.53
Rot. Bonds4

About 2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole

2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 8536931) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole
PubChem CID8536931
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole
SMILESC[C@@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O2/c1-11(14-4-2-3-5-15(14)17)21-13-8-6-12(7-9-13)16-19-18-10-20-16/h2-11H,1H3/t11-/m1/s1
InChIKeyRJCHRTDHUMXMLA-LLVKDONJSA-N
XLogP4.53
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206395
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851774
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908205
3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole
CID 95631705
N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401
(2R)-1-(azepan-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 40844528
(2R)-1-(4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 8528170
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate
CID 8874039
2-[1-(2-chlorophenyl)ethylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 112787200
(2S)-N-cyclopropyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528191
(2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 8528155
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556213

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole (CID 8536931) is 2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole is C[C@@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is RJCHRTDHUMXMLA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-11(14-4-2-3-5-15(14)17)21-13-8-6-12(7-9-13)16-19-18-10-20-16/h2-11H,1H3/t11-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole?
2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 300.75 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 8536931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).