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

C20H16ClN5O2 — CID 60512576

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C20H16ClN5O2/c21-15-7-5-14(6-8-15)20-24-19(28-25-20)10-9-18(27)23-16-3-1-2-4-17(16)26-12-11-22-13-26/h1-8,11-13H,9-10H2,(H,23,27)
InChIKeyHEMXNBHAJAKCKM-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.15
Rot. Bonds6

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

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide (PubChem CID 60512576) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide
PubChem CID60512576
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C20H16ClN5O2/c21-15-7-5-14(6-8-15)20-24-19(28-25-20)10-9-18(27)23-16-3-1-2-4-17(16)26-12-11-22-13-26/h1-8,11-13H,9-10H2,(H,23,27)
InChIKeyHEMXNBHAJAKCKM-UHFFFAOYSA-N
XLogP4.15
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41466780
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide
CID 55415197
N-(2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55763749
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 41270775
N-(4-bromo-2-chlorophenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26705874
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 38748936
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
CID 100759410
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide
CID 55763892
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide (CID 60512576) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide is O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1-n1ccnc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide?
The InChIKey is HEMXNBHAJAKCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c21-15-7-5-14(6-8-15)20-24-19(28-25-20)10-9-18(27)23-16-3-1-2-4-17(16)26-12-11-22-13-26/h1-8,11-13H,9-10H2,(H,23,27).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide has a molecular weight of 393.83 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide is sourced from PubChem (CID 60512576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).