(2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide

C20H26N4O3 — CID 131903223

IUPAC(2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCN(Cc2nnc(-c3ccccc3)o2)CC1)[C@H]1CCCO1
InChIInChI=1S/C20H26N4O3/c25-19(17-7-4-12-26-17)21-13-15-8-10-24(11-9-15)14-18-22-23-20(27-18)16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,21,25)/t17-/m1/s1
InChIKeyBVNXSSBVHGZUJF-QGZVFWFLSA-N
MW370.45 g/mol
LogP2.24
Rot. Bonds6

About (2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide

(2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 131903223) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide
PubChem CID131903223
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCN(Cc2nnc(-c3ccccc3)o2)CC1)[C@H]1CCCO1
InChIInChI=1S/C20H26N4O3/c25-19(17-7-4-12-26-17)21-13-15-8-10-24(11-9-15)14-18-22-23-20(27-18)16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,21,25)/t17-/m1/s1
InChIKeyBVNXSSBVHGZUJF-QGZVFWFLSA-N
XLogP2.24
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide (CID 131903223) is (2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide is O=C(NCC1CCN(Cc2nnc(-c3ccccc3)o2)CC1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is BVNXSSBVHGZUJF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-19(17-7-4-12-26-17)21-13-15-8-10-24(11-9-15)14-18-22-23-20(27-18)16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,21,25)/t17-/m1/s1.
What are the key properties of (2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
(2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 131903223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).