N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C20H20FN3O3 — CID 110304198

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCCC1)c1cc(-c2ccco2)on1
InChIInChI=1S/C20H20FN3O3/c21-15-7-5-14(6-8-15)17(24-9-1-2-10-24)13-22-20(25)16-12-19(27-23-16)18-4-3-11-26-18/h3-8,11-12,17H,1-2,9-10,13H2,(H,22,25)
InChIKeyBTKPCIGSASQRAZ-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 110304198) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID110304198
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCCC1)c1cc(-c2ccco2)on1
InChIInChI=1S/C20H20FN3O3/c21-15-7-5-14(6-8-15)17(24-9-1-2-10-24)13-22-20(25)16-12-19(27-23-16)18-4-3-11-26-18/h3-8,11-12,17H,1-2,9-10,13H2,(H,22,25)
InChIKeyBTKPCIGSASQRAZ-UHFFFAOYSA-N
XLogP3.64
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 16188844
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
(2,6-Dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 3463564
[5-(2-Furanyl)-3-isoxazolyl]-(4-methyl-1-piperidinyl)methanone
CID 4609473
N-(3-acetylphenyl)-5-(2-furyl)-3-isoxazolecarboxamide
CID 17253055
N-cyclohexyl-2-[(5-(2-furyl)isoxazol-3-yl)methoxy]acetamide
CID 17254259
5-(2-furyl)-N-isobutylisoxazole-3-carboxamide
CID 3236696
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(2-furyl)isoxazole-3-carboxamide
CID 3237340
N-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3238209
4-{[5-(2-Furyl)isoxazol-3-yl]carbonyl}morpholine
CID 3239637
5-(furan-2-yl)-N-propyl-1,2-oxazole-3-carboxamide
CID 3240242
N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3241359

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 110304198) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(NCC(c1ccc(F)cc1)N1CCCC1)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BTKPCIGSASQRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-7-5-14(6-8-15)17(24-9-1-2-10-24)13-22-20(25)16-12-19(27-23-16)18-4-3-11-26-18/h3-8,11-12,17H,1-2,9-10,13H2,(H,22,25).
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110304198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).