N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide

C19H20N4O3 — CID 92723590

IUPACN-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(N3CCCC3)cc2)no1
InChIInChI=1S/C19H20N4O3/c1-13(20-18(24)16-5-4-12-25-16)19-21-17(22-26-19)14-6-8-15(9-7-14)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyUVSMVFGAKYZIDA-ZDUSSCGKSA-N
MW352.39 g/mol
LogP3.42
Rot. Bonds5

About N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide

N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 92723590) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
PubChem CID92723590
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(N3CCCC3)cc2)no1
InChIInChI=1S/C19H20N4O3/c1-13(20-18(24)16-5-4-12-25-16)19-21-17(22-26-19)14-6-8-15(9-7-14)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyUVSMVFGAKYZIDA-ZDUSSCGKSA-N
XLogP3.42
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (CID 92723590) is N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(N3CCCC3)cc2)no1.
What is the InChIKey of N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The InChIKey is UVSMVFGAKYZIDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(20-18(24)16-5-4-12-25-16)19-21-17(22-26-19)14-6-8-15(9-7-14)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,20,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 92723590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).