4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide

C24H27N3O2 — CID 25093470

IUPAC4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
SMILESCCCCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1
InChIInChI=1S/C24H27N3O2/c1-3-4-5-22-26-27-24(29-22)20-9-6-16(2)21(14-20)18-10-12-19(13-11-18)23(28)25-15-17-7-8-17/h6,9-14,17H,3-5,7-8,15H2,1-2H3,(H,25,28)
InChIKeyVOMXAEVLYMPJDT-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.19
Rot. Bonds8

About 4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide

4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide (PubChem CID 25093470) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
PubChem CID25093470
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
SMILESCCCCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1
InChIInChI=1S/C24H27N3O2/c1-3-4-5-22-26-27-24(29-22)20-9-6-16(2)21(14-20)18-10-12-19(13-11-18)23(28)25-15-17-7-8-17/h6,9-14,17H,3-5,7-8,15H2,1-2H3,(H,25,28)
InChIKeyVOMXAEVLYMPJDT-UHFFFAOYSA-N
XLogP5.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide (CID 25093470) is 4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide is CCCCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1.
What is the InChIKey of 4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide?
The InChIKey is VOMXAEVLYMPJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-4-5-22-26-27-24(29-22)20-9-6-16(2)21(14-20)18-10-12-19(13-11-18)23(28)25-15-17-7-8-17/h6,9-14,17H,3-5,7-8,15H2,1-2H3,(H,25,28).
What are the key properties of 4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide?
4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-butyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 25093470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).