(4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C19H18ClN3O3 — CID 3226312

IUPAC(4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2noc(C3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)o1
InChIInChI=1S/C19H18ClN3O3/c1-12-4-9-16(25-12)17-21-18(26-22-17)14-3-2-10-23(11-14)19(24)13-5-7-15(20)8-6-13/h4-9,14H,2-3,10-11H2,1H3
InChIKeyAFWZWCFLKWMERJ-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.31
Rot. Bonds3

About (4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 3226312) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID3226312
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name(4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2noc(C3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)o1
InChIInChI=1S/C19H18ClN3O3/c1-12-4-9-16(25-12)17-21-18(26-22-17)14-3-2-10-23(11-14)19(24)13-5-7-15(20)8-6-13/h4-9,14H,2-3,10-11H2,1H3
InChIKeyAFWZWCFLKWMERJ-UHFFFAOYSA-N
XLogP4.31
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 3226312) is (4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1ccc(-c2noc(C3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)o1.
What is the InChIKey of (4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is AFWZWCFLKWMERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12-4-9-16(25-12)17-21-18(26-22-17)14-3-2-10-23(11-14)19(24)13-5-7-15(20)8-6-13/h4-9,14H,2-3,10-11H2,1H3.
What are the key properties of (4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 371.82 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3226312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).