N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide

C21H24N4O3 — CID 92723591

IUPACN-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(-c3noc([C@@H](C)NC(=O)c4ccco4)n3)cc2)CC1
InChIInChI=1S/C21H24N4O3/c1-14-9-11-25(12-10-14)17-7-5-16(6-8-17)19-23-21(28-24-19)15(2)22-20(26)18-4-3-13-27-18/h3-8,13-15H,9-12H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyWSJJOZFWYACSLS-OAHLLOKOSA-N
MW380.45 g/mol
LogP4.06
Rot. Bonds5

About N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide

N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 92723591) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
PubChem CID92723591
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(-c3noc([C@@H](C)NC(=O)c4ccco4)n3)cc2)CC1
InChIInChI=1S/C21H24N4O3/c1-14-9-11-25(12-10-14)17-7-5-16(6-8-17)19-23-21(28-24-19)15(2)22-20(26)18-4-3-13-27-18/h3-8,13-15H,9-12H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyWSJJOZFWYACSLS-OAHLLOKOSA-N
XLogP4.06
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (CID 92723591) is N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is CC1CCN(c2ccc(-c3noc([C@@H](C)NC(=O)c4ccco4)n3)cc2)CC1.
What is the InChIKey of N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The InChIKey is WSJJOZFWYACSLS-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-9-11-25(12-10-14)17-7-5-16(6-8-17)19-23-21(28-24-19)15(2)22-20(26)18-4-3-13-27-18/h3-8,13-15H,9-12H2,1-2H3,(H,22,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 92723591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).