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

C17H13Cl2N3O2 — CID 110334653

IUPACN-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2N3O2/c18-12-3-1-11(2-4-12)17-22-21-16(24-17)10-9-15(23)20-14-7-5-13(19)6-8-14/h1-8H,9-10H2,(H,20,23)
InChIKeyABKDGWJNFUSEBC-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.61
Rot. Bonds5

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

N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334653) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334653
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC NameN-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2N3O2/c18-12-3-1-11(2-4-12)17-22-21-16(24-17)10-9-15(23)20-14-7-5-13(19)6-8-14/h1-8H,9-10H2,(H,20,23)
InChIKeyABKDGWJNFUSEBC-UHFFFAOYSA-N
XLogP4.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334685
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-fluorophenyl)propanamide
CID 110334681
N-(3,4-difluorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334114
N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334102
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide
CID 86819551
N-[4-(diethylamino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55412214
N-(3-chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330570
N-(4-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334045
N-[4-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334085
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
CID 110334066
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334653) is N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is ABKDGWJNFUSEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-12-3-1-11(2-4-12)17-22-21-16(24-17)10-9-15(23)20-14-7-5-13(19)6-8-14/h1-8H,9-10H2,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 362.22 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).