N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

C18H21FN4O3 — CID 91908081

IUPACN-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCC1c1nc(C2CCOCC2)no1
InChIInChI=1S/C18H21FN4O3/c19-13-3-1-4-14(11-13)20-18(24)23-8-2-5-15(23)17-21-16(22-26-17)12-6-9-25-10-7-12/h1,3-4,11-12,15H,2,5-10H2,(H,20,24)
InChIKeyODNWYPVKBFPPRN-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.47
Rot. Bonds3

About N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 91908081) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID91908081
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC NameN-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCC1c1nc(C2CCOCC2)no1
InChIInChI=1S/C18H21FN4O3/c19-13-3-1-4-14(11-13)20-18(24)23-8-2-5-15(23)17-21-16(22-26-17)12-6-9-25-10-7-12/h1,3-4,11-12,15H,2,5-10H2,(H,20,24)
InChIKeyODNWYPVKBFPPRN-UHFFFAOYSA-N
XLogP3.47
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-N-(2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576641
N-(2-Fluorophenyl)-3-[3-(oxan-4-YL)-1,2,4-oxadiazol-5-YL]piperidine-1-carboxamide
CID 91918786
2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluorophenyl)-1-pyrrolidinecarboxamide
CID 91920654
(2S)-N-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7328961
1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]urea
CID 25338336
1-(2,4-difluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 25338776
1-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]-3-phenylurea
CID 28960941
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 162666511
(2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 162674018
(2S)-N-(4-chlorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 162674979
(2S)-N-(4-chlorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 162675873
N~1~-Cyclopentyl-2-(5-tetrahydro-2H-pyran-4-YL-1,2,4-oxadiazol-3-YL)-1-indolinecarboxamide
CID 91924555

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 91908081) is N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCCC1c1nc(C2CCOCC2)no1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is ODNWYPVKBFPPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c19-13-3-1-4-14(11-13)20-18(24)23-8-2-5-15(23)17-21-16(22-26-17)12-6-9-25-10-7-12/h1,3-4,11-12,15H,2,5-10H2,(H,20,24).
What are the key properties of N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91908081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).