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

C22H26N4O3 — CID 95057357

IUPACN-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(c2ccc(-c3noc(C(=O)N[C@H](C)Cc4ccco4)n3)cc2)CC1
InChIInChI=1S/C22H26N4O3/c1-15-9-11-26(12-10-15)18-7-5-17(6-8-18)20-24-22(29-25-20)21(27)23-16(2)14-19-4-3-13-28-19/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyVNBQEMXVTYDWDJ-MRXNPFEDSA-N
MW394.48 g/mol
LogP3.93
Rot. Bonds6

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

N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 95057357) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID95057357
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(c2ccc(-c3noc(C(=O)N[C@H](C)Cc4ccco4)n3)cc2)CC1
InChIInChI=1S/C22H26N4O3/c1-15-9-11-26(12-10-15)18-7-5-17(6-8-18)20-24-22(29-25-20)21(27)23-16(2)14-19-4-3-13-28-19/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyVNBQEMXVTYDWDJ-MRXNPFEDSA-N
XLogP3.93
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide (CID 95057357) is N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide is CC1CCN(c2ccc(-c3noc(C(=O)N[C@H](C)Cc4ccco4)n3)cc2)CC1.
What is the InChIKey of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VNBQEMXVTYDWDJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-9-11-26(12-10-15)18-7-5-17(6-8-18)20-24-22(29-25-20)21(27)23-16(2)14-19-4-3-13-28-19/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,23,27)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 95057357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).