(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C17H24N4O2 — CID 56779030

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCCC1Cn1cc(C)cn1
InChIInChI=1S/C17H24N4O2/c1-4-15-16(13(3)23-19-15)17(22)21-8-6-5-7-14(21)11-20-10-12(2)9-18-20/h9-10,14H,4-8,11H2,1-3H3
InChIKeyFIOAEXGSBNTVFZ-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.75
Rot. Bonds4

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56779030) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56779030
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCCC1Cn1cc(C)cn1
InChIInChI=1S/C17H24N4O2/c1-4-15-16(13(3)23-19-15)17(22)21-8-6-5-7-14(21)11-20-10-12(2)9-18-20/h9-10,14H,4-8,11H2,1-3H3
InChIKeyFIOAEXGSBNTVFZ-UHFFFAOYSA-N
XLogP2.75
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56779030) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCCCC1Cn1cc(C)cn1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is FIOAEXGSBNTVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-15-16(13(3)23-19-15)17(22)21-8-6-5-7-14(21)11-20-10-12(2)9-18-20/h9-10,14H,4-8,11H2,1-3H3.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 316.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56779030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).