2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide

C17H21FN4O3 — CID 91920649

IUPAC2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC1c1noc(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O3/c1-11(2)19-17(23)22-9-3-4-14(22)16-20-15(25-21-16)10-24-13-7-5-12(18)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeyXNCJBKAXIRVLAI-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.04
Rot. Bonds5

About 2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide

2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 91920649) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID91920649
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC1c1noc(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O3/c1-11(2)19-17(23)22-9-3-4-14(22)16-20-15(25-21-16)10-24-13-7-5-12(18)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeyXNCJBKAXIRVLAI-UHFFFAOYSA-N
XLogP3.04
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 91920648
[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91909905
N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
CID 91920685
2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 91920794
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 90564707
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43473114
2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 91920684
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 95058070
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide (CID 91920649) is 2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1CCCC1c1noc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is XNCJBKAXIRVLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-11(2)19-17(23)22-9-3-4-14(22)16-20-15(25-21-16)10-24-13-7-5-12(18)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,19,23).
What are the key properties of 2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide?
2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 91920649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).