(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone

C20H21FN4O3 — CID 86265801

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C20H21FN4O3/c1-12-18(13(2)27-23-12)20(26)25-9-5-6-14(11-25)10-17-22-19(24-28-17)15-7-3-4-8-16(15)21/h3-4,7-8,14H,5-6,9-11H2,1-2H3
InChIKeyMVJQAZMLBVBCCN-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.58
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (PubChem CID 86265801) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
PubChem CID86265801
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C20H21FN4O3/c1-12-18(13(2)27-23-12)20(26)25-9-5-6-14(11-25)10-17-22-19(24-28-17)15-7-3-4-8-16(15)21/h3-4,7-8,14H,5-6,9-11H2,1-2H3
InChIKeyMVJQAZMLBVBCCN-UHFFFAOYSA-N
XLogP3.58
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (CID 86265801) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is MVJQAZMLBVBCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-12-18(13(2)27-23-12)20(26)25-9-5-6-14(11-25)10-17-22-19(24-28-17)15-7-3-4-8-16(15)21/h3-4,7-8,14H,5-6,9-11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 384.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 86265801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).