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

C21H20Cl2N4O3 — CID 41270775

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C21H20Cl2N4O3/c22-15-6-4-14(5-7-15)21-25-19(30-26-21)9-8-18(28)24-17-3-1-2-16(23)20(17)27-10-12-29-13-11-27/h1-7H,8-13H2,(H,24,28)
InChIKeyUUYRFTDFCQNESX-UHFFFAOYSA-N
MW447.32 g/mol
LogP4.45
Rot. Bonds6

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

N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 41270775) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID41270775
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C21H20Cl2N4O3/c22-15-6-4-14(5-7-15)21-25-19(30-26-21)9-8-18(28)24-17-3-1-2-16(23)20(17)27-10-12-29-13-11-27/h1-7H,8-13H2,(H,24,28)
InChIKeyUUYRFTDFCQNESX-UHFFFAOYSA-N
XLogP4.45
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-morpholin-4-ylphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41270984
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 55615243
N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50825041
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18266633
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55407922
N-(4-bromo-2-chlorophenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26705874
N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35330593
7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
CID 119840505
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide
CID 60512576
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100757053
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(difluoromethylsulfonyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 41270775) is N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is UUYRFTDFCQNESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c22-15-6-4-14(5-7-15)21-25-19(30-26-21)9-8-18(28)24-17-3-1-2-16(23)20(17)27-10-12-29-13-11-27/h1-7H,8-13H2,(H,24,28).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 447.32 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 41270775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).