N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C19H20N4O3 — CID 46296056

IUPACN-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H20N4O3/c24-19(20-13-16-7-4-12-25-16)23-10-8-15(9-11-23)18-21-17(22-26-18)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,20,24)
InChIKeyKTBCHLIXESKSLP-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.42
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46296056) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46296056
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H20N4O3/c24-19(20-13-16-7-4-12-25-16)23-10-8-15(9-11-23)18-21-17(22-26-18)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,20,24)
InChIKeyKTBCHLIXESKSLP-UHFFFAOYSA-N
XLogP3.42
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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 ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 46296056) is N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NCc1ccco1)N1CCC(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is KTBCHLIXESKSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(20-13-16-7-4-12-25-16)23-10-8-15(9-11-23)18-21-17(22-26-18)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,20,24).
What are the key properties of N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46296056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).