3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

C19H17ClFN3O2 — CID 100758002

IUPAC3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1nc(-c2ccccc2Cl)no1)c1ccc(F)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-12(13-6-8-14(21)9-7-13)22-17(25)10-11-18-23-19(24-26-18)15-4-2-3-5-16(15)20/h2-9,12H,10-11H2,1H3,(H,22,25)/t12-/m1/s1
InChIKeyLKBVRRLAGZAFDG-GFCCVEGCSA-N
MW373.82 g/mol
LogP4.34
Rot. Bonds6

About 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 100758002) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID100758002
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1nc(-c2ccccc2Cl)no1)c1ccc(F)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-12(13-6-8-14(21)9-7-13)22-17(25)10-11-18-23-19(24-26-18)15-4-2-3-5-16(15)20/h2-9,12H,10-11H2,1H3,(H,22,25)/t12-/m1/s1
InChIKeyLKBVRRLAGZAFDG-GFCCVEGCSA-N
XLogP4.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
N-[1-(4-chlorophenyl)ethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133209743
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 133209724
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 17101530
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 100757938
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754420
N-[1-(4-chlorophenyl)ethyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133200580
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9181748
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 30656152
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-difluorophenyl)propanamide
CID 100757698
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 50970826

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (CID 100758002) is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is C[C@@H](NC(=O)CCc1nc(-c2ccccc2Cl)no1)c1ccc(F)cc1.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is LKBVRRLAGZAFDG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-12(13-6-8-14(21)9-7-13)22-17(25)10-11-18-23-19(24-26-18)15-4-2-3-5-16(15)20/h2-9,12H,10-11H2,1H3,(H,22,25)/t12-/m1/s1.
What are the key properties of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 373.82 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 100758002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).