(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone

C17H20N2O2 — CID 708004

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H20N2O2/c1-12-8-10-19(11-9-12)17(20)15-13(2)21-18-16(15)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyLWIOGRQDRREVFD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.52
Rot. Bonds2

About (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 708004) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID708004
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H20N2O2/c1-12-8-10-19(11-9-12)17(20)15-13(2)21-18-16(15)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyLWIOGRQDRREVFD-UHFFFAOYSA-N
XLogP3.52
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone (CID 708004) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C)CC1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is LWIOGRQDRREVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-8-10-19(11-9-12)17(20)15-13(2)21-18-16(15)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 708004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).