N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

C23H18ClN3O3 — CID 35894204

IUPACN-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C23H18ClN3O3/c24-19-8-4-5-9-20(19)29-18-12-10-17(11-13-18)25-21(28)14-15-22-26-27-23(30-22)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,28)
InChIKeyXRCLFMZKXYUQCR-UHFFFAOYSA-N
MW419.87 g/mol
LogP5.75
Rot. Bonds7

About N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 35894204) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID35894204
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C23H18ClN3O3/c24-19-8-4-5-9-20(19)29-18-12-10-17(11-13-18)25-21(28)14-15-22-26-27-23(30-22)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,28)
InChIKeyXRCLFMZKXYUQCR-UHFFFAOYSA-N
XLogP5.75
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38014190
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
CID 110334066
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-phenoxyphenyl)propanamide
CID 110333704
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 30159568
[2-(4-fluoroanilino)-2-oxoethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 8003554
methyl 4-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334549
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 29368415
N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 86885344
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 35894204) is N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is XRCLFMZKXYUQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c24-19-8-4-5-9-20(19)29-18-12-10-17(11-13-18)25-21(28)14-15-22-26-27-23(30-22)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,28).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 419.87 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 35894204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).