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

C24H20ClN3O3 — CID 17359055

IUPAC2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide
SMILESCc1ccc(-c2nnc(-c3ccc(NC(=O)C(C)Oc4ccc(Cl)cc4)cc3)o2)cc1
InChIInChI=1S/C24H20ClN3O3/c1-15-3-5-17(6-4-15)23-27-28-24(31-23)18-7-11-20(12-8-18)26-22(29)16(2)30-21-13-9-19(25)10-14-21/h3-14,16H,1-2H3,(H,26,29)
InChIKeyVLZGAYGJHDQZHC-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.77
Rot. Bonds6

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

2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide (PubChem CID 17359055) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide
PubChem CID17359055
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide
SMILESCc1ccc(-c2nnc(-c3ccc(NC(=O)C(C)Oc4ccc(Cl)cc4)cc3)o2)cc1
InChIInChI=1S/C24H20ClN3O3/c1-15-3-5-17(6-4-15)23-27-28-24(31-23)18-7-11-20(12-8-18)26-22(29)16(2)30-21-13-9-19(25)10-14-21/h3-14,16H,1-2H3,(H,26,29)
InChIKeyVLZGAYGJHDQZHC-UHFFFAOYSA-N
XLogP5.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
2-(4-methoxyphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17171857
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
CID 17359912
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
2-(4-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 51193889
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42908304
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide (CID 17359055) is 2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide is Cc1ccc(-c2nnc(-c3ccc(NC(=O)C(C)Oc4ccc(Cl)cc4)cc3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide?
The InChIKey is VLZGAYGJHDQZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-15-3-5-17(6-4-15)23-27-28-24(31-23)18-7-11-20(12-8-18)26-22(29)16(2)30-21-13-9-19(25)10-14-21/h3-14,16H,1-2H3,(H,26,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide?
2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide has a molecular weight of 433.90 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide is sourced from PubChem (CID 17359055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).