2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide

C18H24N4O2 — CID 53159445

IUPAC2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
SMILESCC(C)C(=O)NC(Cc1ccccc1)c1nnc(N2CCCC2)o1
InChIInChI=1S/C18H24N4O2/c1-13(2)16(23)19-15(12-14-8-4-3-5-9-14)17-20-21-18(24-17)22-10-6-7-11-22/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,19,23)
InChIKeyNBVFSERRZLVDMP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.73
Rot. Bonds6

About 2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide

2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide (PubChem CID 53159445) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
PubChem CID53159445
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
SMILESCC(C)C(=O)NC(Cc1ccccc1)c1nnc(N2CCCC2)o1
InChIInChI=1S/C18H24N4O2/c1-13(2)16(23)19-15(12-14-8-4-3-5-9-14)17-20-21-18(24-17)22-10-6-7-11-22/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,19,23)
InChIKeyNBVFSERRZLVDMP-UHFFFAOYSA-N
XLogP2.73
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 6625704
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22520105
3-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
CID 53159434
N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 53159437
N-{2-Phenyl-1-[5-(pyrrolidin-1-YL)-1,3,4-oxadiazol-2-YL]ethyl}butanamide
CID 53159444
2,2-dimethyl-N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 53159461
N-{2-Phenyl-1-[5-(piperidin-1-YL)-1,3,4-oxadiazol-2-YL]ethyl}propanamide
CID 53159462
N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
CID 53159463
2-Methyl-N-{2-phenyl-1-[5-(piperidin-1-YL)-1,3,4-oxadiazol-2-YL]ethyl}propanamide
CID 53159464
N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 53159465
N-[1-(5-azepan-1-yl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]cyclopropanecarboxamide
CID 53159506
N~1~-{1-[5-(1-Azepanyl)-1,3,4-oxadiazol-2-YL]-2-phenylethyl}propanamide
CID 53159526

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide (CID 53159445) is 2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide is CC(C)C(=O)NC(Cc1ccccc1)c1nnc(N2CCCC2)o1.
What is the InChIKey of 2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
The InChIKey is NBVFSERRZLVDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)16(23)19-15(12-14-8-4-3-5-9-14)17-20-21-18(24-17)22-10-6-7-11-22/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,19,23).
What are the key properties of 2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-phenyl-1-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 53159445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).