N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C25H30N4O3 — CID 55450501

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccccc1C(CNC(=O)CCc1nnc(-c2ccc(C)cc2)o1)N1CCCC1
InChIInChI=1S/C25H30N4O3/c1-18-9-11-19(12-10-18)25-28-27-24(32-25)14-13-23(30)26-17-21(29-15-5-6-16-29)20-7-3-4-8-22(20)31-2/h3-4,7-12,21H,5-6,13-17H2,1-2H3,(H,26,30)
InChIKeyXUOSDDIIYMZLAL-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.94
Rot. Bonds9

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 55450501) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID55450501
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccccc1C(CNC(=O)CCc1nnc(-c2ccc(C)cc2)o1)N1CCCC1
InChIInChI=1S/C25H30N4O3/c1-18-9-11-19(12-10-18)25-28-27-24(32-25)14-13-23(30)26-17-21(29-15-5-6-16-29)20-7-3-4-8-22(20)31-2/h3-4,7-12,21H,5-6,13-17H2,1-2H3,(H,26,30)
InChIKeyXUOSDDIIYMZLAL-UHFFFAOYSA-N
XLogP3.94
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43019781
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 55691550
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24544215
N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 78791262
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55686853
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide
CID 24658934
2-(2-methoxyphenoxy)-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506458
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 34954966
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 55887392
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017189
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110334614

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 55450501) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is COc1ccccc1C(CNC(=O)CCc1nnc(-c2ccc(C)cc2)o1)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is XUOSDDIIYMZLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-9-11-19(12-10-18)25-28-27-24(32-25)14-13-23(30)26-17-21(29-15-5-6-16-29)20-7-3-4-8-22(20)31-2/h3-4,7-12,21H,5-6,13-17H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 434.54 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 55450501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).