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

C19H25N7O2 — CID 72935352

IUPAC(3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)on1
InChIInChI=1S/C19H25N7O2/c1-4-15-11-16(28-23-15)19(27)25-8-5-14(6-9-25)18-22-21-17(24(18)3)12-26-10-7-20-13(26)2/h7,10-11,14H,4-6,8-9,12H2,1-3H3
InChIKeyCJHYDWKCXFRVNK-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.94
Rot. Bonds5

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

(3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 72935352) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID72935352
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name(3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)on1
InChIInChI=1S/C19H25N7O2/c1-4-15-11-16(28-23-15)19(27)25-8-5-14(6-9-25)18-22-21-17(24(18)3)12-26-10-7-20-13(26)2/h7,10-11,14H,4-6,8-9,12H2,1-3H3
InChIKeyCJHYDWKCXFRVNK-UHFFFAOYSA-N
XLogP1.94
TPSA94.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 72935352) is (3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)on1.
What is the InChIKey of (3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is CJHYDWKCXFRVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-4-15-11-16(28-23-15)19(27)25-8-5-14(6-9-25)18-22-21-17(24(18)3)12-26-10-7-20-13(26)2/h7,10-11,14H,4-6,8-9,12H2,1-3H3.
What are the key properties of (3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 383.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-5-yl)-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72935352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).