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

C22H25N3O2 — CID 23723680

IUPACN-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide
SMILESCc1cccc(Cc2nnc(CCC(=O)N(C)CCc3ccccc3)o2)c1
InChIInChI=1S/C22H25N3O2/c1-17-7-6-10-19(15-17)16-21-24-23-20(27-21)11-12-22(26)25(2)14-13-18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyNRPADJYFHKOQSR-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.60
Rot. Bonds8

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

N-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide (PubChem CID 23723680) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide
PubChem CID23723680
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide
SMILESCc1cccc(Cc2nnc(CCC(=O)N(C)CCc3ccccc3)o2)c1
InChIInChI=1S/C22H25N3O2/c1-17-7-6-10-19(15-17)16-21-24-23-20(27-21)11-12-22(26)25(2)14-13-18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyNRPADJYFHKOQSR-UHFFFAOYSA-N
XLogP3.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide (CID 23723680) is N-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide is Cc1cccc(Cc2nnc(CCC(=O)N(C)CCc3ccccc3)o2)c1.
What is the InChIKey of N-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide?
The InChIKey is NRPADJYFHKOQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-7-6-10-19(15-17)16-21-24-23-20(27-21)11-12-22(26)25(2)14-13-18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of N-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide?
N-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 23723680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).