4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide

C27H26N4O3 — CID 10049619

IUPAC4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCc1nnc(-c2ccc(-c3cc(C(=O)Nc4cccc(N5CCOCC5)c4)ccc3C)cc2)o1
InChIInChI=1S/C27H26N4O3/c1-18-6-7-22(16-25(18)20-8-10-21(11-9-20)27-30-29-19(2)34-27)26(32)28-23-4-3-5-24(17-23)31-12-14-33-15-13-31/h3-11,16-17H,12-15H2,1-2H3,(H,28,32)
InChIKeyXYEIQUMBGNEFIN-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.11
Rot. Bonds5

About 4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide

4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 10049619) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID10049619
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCc1nnc(-c2ccc(-c3cc(C(=O)Nc4cccc(N5CCOCC5)c4)ccc3C)cc2)o1
InChIInChI=1S/C27H26N4O3/c1-18-6-7-22(16-25(18)20-8-10-21(11-9-20)27-30-29-19(2)34-27)26(32)28-23-4-3-5-24(17-23)31-12-14-33-15-13-31/h3-11,16-17H,12-15H2,1-2H3,(H,28,32)
InChIKeyXYEIQUMBGNEFIN-UHFFFAOYSA-N
XLogP5.11
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide (CID 10049619) is 4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide is Cc1nnc(-c2ccc(-c3cc(C(=O)Nc4cccc(N5CCOCC5)c4)ccc3C)cc2)o1.
What is the InChIKey of 4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is XYEIQUMBGNEFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-18-6-7-22(16-25(18)20-8-10-21(11-9-20)27-30-29-19(2)34-27)26(32)28-23-4-3-5-24(17-23)31-12-14-33-15-13-31/h3-11,16-17H,12-15H2,1-2H3,(H,28,32).
What are the key properties of 4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide?
4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 454.53 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 10049619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).