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

C19H17BrClN3O2 — CID 133209753

IUPAC3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc(-c2ccc(Br)cc2)no1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17BrClN3O2/c1-12(13-4-8-16(21)9-5-13)22-17(25)10-11-18-23-19(24-26-18)14-2-6-15(20)7-3-14/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyLQCABKRDKRDYGV-UHFFFAOYSA-N
MW434.72 g/mol
LogP4.96
Rot. Bonds6

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

3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide (PubChem CID 133209753) has the molecular formula C19H17BrClN3O2 and a molecular weight of 434.72 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide
PubChem CID133209753
Molecular FormulaC19H17BrClN3O2
Molecular Weight434.72 g/mol
Exact Mass433.02
IUPAC Name3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc(-c2ccc(Br)cc2)no1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17BrClN3O2/c1-12(13-4-8-16(21)9-5-13)22-17(25)10-11-18-23-19(24-26-18)14-2-6-15(20)7-3-14/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyLQCABKRDKRDYGV-UHFFFAOYSA-N
XLogP4.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.72
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133244447
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
N-[1-(3-bromophenyl)ethyl]-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46585370
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760240
N-[1-(4-chlorophenyl)ethyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133200580
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-fluoropropan-2-yl]propanamide
CID 166260796
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 99641746
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 55649353
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 9482323
N-[1-(4-chlorophenyl)ethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133209743

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide (CID 133209753) is 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide is CC(NC(=O)CCc1nc(-c2ccc(Br)cc2)no1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is LQCABKRDKRDYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3O2/c1-12(13-4-8-16(21)9-5-13)22-17(25)10-11-18-23-19(24-26-18)14-2-6-15(20)7-3-14/h2-9,12H,10-11H2,1H3,(H,22,25).
What are the key properties of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide?
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 434.72 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 133209753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).