N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C17H21FN4O2 — CID 6625704

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nnc(Cc2cccc(F)c2)o1
InChIInChI=1S/C17H21FN4O2/c1-2-22-8-4-7-14(22)11-19-16(23)17-21-20-15(24-17)10-12-5-3-6-13(18)9-12/h3,5-6,9,14H,2,4,7-8,10-11H2,1H3,(H,19,23)
InChIKeyUPMAUFVNFHQBNH-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.01
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 6625704) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID6625704
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nnc(Cc2cccc(F)c2)o1
InChIInChI=1S/C17H21FN4O2/c1-2-22-8-4-7-14(22)11-19-16(23)17-21-20-15(24-17)10-12-5-3-6-13(18)9-12/h3,5-6,9,14H,2,4,7-8,10-11H2,1H3,(H,19,23)
InChIKeyUPMAUFVNFHQBNH-UHFFFAOYSA-N
XLogP2.01
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 6625704) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is CCN1CCCC1CNC(=O)c1nnc(Cc2cccc(F)c2)o1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UPMAUFVNFHQBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-2-22-8-4-7-14(22)11-19-16(23)17-21-20-15(24-17)10-12-5-3-6-13(18)9-12/h3,5-6,9,14H,2,4,7-8,10-11H2,1H3,(H,19,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 6625704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).