N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide

C18H17FN4O3 — CID 25338613

IUPACN-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide
SMILESCN1C[C@@H](NC(=O)c2ccco2)C[C@H]1c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H17FN4O3/c1-23-10-13(20-17(24)15-3-2-8-25-15)9-14(23)18-21-16(22-26-18)11-4-6-12(19)7-5-11/h2-8,13-14H,9-10H2,1H3,(H,20,24)/t13-,14-/m0/s1
InChIKeyVSLVSIYSBFLYTJ-KBPBESRZSA-N
MW356.36 g/mol
LogP2.64
Rot. Bonds4

About N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide

N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 25338613) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide
PubChem CID25338613
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC NameN-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide
SMILESCN1C[C@@H](NC(=O)c2ccco2)C[C@H]1c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H17FN4O3/c1-23-10-13(20-17(24)15-3-2-8-25-15)9-14(23)18-21-16(22-26-18)11-4-6-12(19)7-5-11/h2-8,13-14H,9-10H2,1H3,(H,20,24)/t13-,14-/m0/s1
InChIKeyVSLVSIYSBFLYTJ-KBPBESRZSA-N
XLogP2.64
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide (CID 25338613) is N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide is CN1C[C@@H](NC(=O)c2ccco2)C[C@H]1c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is VSLVSIYSBFLYTJ-KBPBESRZSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-23-10-13(20-17(24)15-3-2-8-25-15)9-14(23)18-21-16(22-26-18)11-4-6-12(19)7-5-11/h2-8,13-14H,9-10H2,1H3,(H,20,24)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 25338613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).