N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide

C25H22Cl2N4O2 — CID 10277548

IUPACN-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)Nc1cccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)o2)c1
InChIInChI=1S/C25H22Cl2N4O2/c26-21-14-13-20(16-22(21)27)29-25-31-30-24(33-25)18-10-6-11-19(15-18)28-23(32)12-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-11,13-16H,4-5,9,12H2,(H,28,32)(H,29,31)
InChIKeyKMCIUMDVNKSTOI-UHFFFAOYSA-N
MW481.38 g/mol
LogP7.14
Rot. Bonds9

About N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide

N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide (PubChem CID 10277548) has the molecular formula C25H22Cl2N4O2 and a molecular weight of 481.38 g/mol. Its IUPAC name is N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide
PubChem CID10277548
Molecular FormulaC25H22Cl2N4O2
Molecular Weight481.38 g/mol
Exact Mass480.11
IUPAC NameN-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)Nc1cccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)o2)c1
InChIInChI=1S/C25H22Cl2N4O2/c26-21-14-13-20(16-22(21)27)29-25-31-30-24(33-25)18-10-6-11-19(15-18)28-23(32)12-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-11,13-16H,4-5,9,12H2,(H,28,32)(H,29,31)
InChIKeyKMCIUMDVNKSTOI-UHFFFAOYSA-N
XLogP7.14
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 1315264
3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113122324
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide
CID 17360862
1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387989
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide
CID 71705594
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3619493
N-[3-bromo-5-[[(3,4-dichlorophenyl)carbamothioylamino]carbamoyl]phenyl]-5-phenylpentanamide
CID 10210663
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
CID 46264529
N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenylacetamide
CID 2993583
N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
CID 63936302
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide?
The IUPAC name of N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide (CID 10277548) is N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide.
What is the SMILES notation for N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide?
The canonical SMILES for N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide is O=C(CCCCc1ccccc1)Nc1cccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)o2)c1.
What is the InChIKey of N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide?
The InChIKey is KMCIUMDVNKSTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O2/c26-21-14-13-20(16-22(21)27)29-25-31-30-24(33-25)18-10-6-11-19(15-18)28-23(32)12-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-11,13-16H,4-5,9,12H2,(H,28,32)(H,29,31).
What are the key properties of N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide?
N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide has a molecular weight of 481.38 g/mol, XLogP of 7.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3,4-dichloroanilino)-1,3,4-oxadiazol-2-yl]phenyl]-5-phenylpentanamide is sourced from PubChem (CID 10277548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).