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

C22H23N3O2 — CID 21078794

IUPACN-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide
SMILESCCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1
InChIInChI=1S/C22H23N3O2/c1-3-20-24-25-22(27-20)18-7-4-14(2)19(12-18)16-8-10-17(11-9-16)21(26)23-13-15-5-6-15/h4,7-12,15H,3,5-6,13H2,1-2H3,(H,23,26)
InChIKeyVEAZXTGDLQXXBY-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.41
Rot. Bonds6

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

N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide (PubChem CID 21078794) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide
PubChem CID21078794
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide
SMILESCCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1
InChIInChI=1S/C22H23N3O2/c1-3-20-24-25-22(27-20)18-7-4-14(2)19(12-18)16-8-10-17(11-9-16)21(26)23-13-15-5-6-15/h4,7-12,15H,3,5-6,13H2,1-2H3,(H,23,26)
InChIKeyVEAZXTGDLQXXBY-UHFFFAOYSA-N
XLogP4.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide (CID 21078794) is N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide is CCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide?
The InChIKey is VEAZXTGDLQXXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-20-24-25-22(27-20)18-7-4-14(2)19(12-18)16-8-10-17(11-9-16)21(26)23-13-15-5-6-15/h4,7-12,15H,3,5-6,13H2,1-2H3,(H,23,26).
What are the key properties of N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide?
N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 21078794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).