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

C21H16ClN3O3S — CID 38014190

IUPACN-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C21H16ClN3O3S/c22-17-3-1-2-4-18(17)27-16-7-5-15(6-8-16)23-19(26)9-10-20-24-25-21(28-20)14-11-12-29-13-14/h1-8,11-13H,9-10H2,(H,23,26)
InChIKeyHMNOSDCVUHOBCT-UHFFFAOYSA-N
MW425.90 g/mol
LogP5.82
Rot. Bonds7

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

N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 38014190) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID38014190
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C21H16ClN3O3S/c22-17-3-1-2-4-18(17)27-16-7-5-15(6-8-16)23-19(26)9-10-20-24-25-21(28-20)14-11-12-29-13-14/h1-8,11-13H,9-10H2,(H,23,26)
InChIKeyHMNOSDCVUHOBCT-UHFFFAOYSA-N
XLogP5.82
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.90
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 35894204
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
N-(4-piperidin-1-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55536464
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38019003
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38041055
N-(4-methoxy-2-pyridinyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 75434520
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38022358
N-(3-chlorophenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162006
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55804811
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38035098
N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 75428625

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 38014190) is N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is HMNOSDCVUHOBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c22-17-3-1-2-4-18(17)27-16-7-5-15(6-8-16)23-19(26)9-10-20-24-25-21(28-20)14-11-12-29-13-14/h1-8,11-13H,9-10H2,(H,23,26).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 425.90 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 38014190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).