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

C18H23N3O3 — CID 24816685

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3c(C)noc3C)C2)cc1
InChIInChI=1S/C18H23N3O3/c1-12-17(13(2)24-20-12)18(22)21-10-4-5-15(11-21)19-14-6-8-16(23-3)9-7-14/h6-9,15,19H,4-5,10-11H2,1-3H3
InChIKeyYYDAMPXFOCEPTF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.02
Rot. Bonds4

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone (PubChem CID 24816685) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone
PubChem CID24816685
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3c(C)noc3C)C2)cc1
InChIInChI=1S/C18H23N3O3/c1-12-17(13(2)24-20-12)18(22)21-10-4-5-15(11-21)19-14-6-8-16(23-3)9-7-14/h6-9,15,19H,4-5,10-11H2,1-3H3
InChIKeyYYDAMPXFOCEPTF-UHFFFAOYSA-N
XLogP3.02
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone (CID 24816685) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone is COc1ccc(NC2CCCN(C(=O)c3c(C)noc3C)C2)cc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone?
The InChIKey is YYDAMPXFOCEPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-17(13(2)24-20-12)18(22)21-10-4-5-15(11-21)19-14-6-8-16(23-3)9-7-14/h6-9,15,19H,4-5,10-11H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methoxyanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24816685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).