[1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

C17H22N4O4 — CID 70745499

IUPAC[1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOCc1c(C(=O)N2CCCC(C(=O)c3nccn3C)C2)noc1C
InChIInChI=1S/C17H22N4O4/c1-11-13(10-24-3)14(19-25-11)17(23)21-7-4-5-12(9-21)15(22)16-18-6-8-20(16)2/h6,8,12H,4-5,7,9-10H2,1-3H3
InChIKeyUZRFCUOBCZLTLI-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.60
Rot. Bonds5

About [1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

[1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 70745499) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is [1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID70745499
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name[1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOCc1c(C(=O)N2CCCC(C(=O)c3nccn3C)C2)noc1C
InChIInChI=1S/C17H22N4O4/c1-11-13(10-24-3)14(19-25-11)17(23)21-7-4-5-12(9-21)15(22)16-18-6-8-20(16)2/h6,8,12H,4-5,7,9-10H2,1-3H3
InChIKeyUZRFCUOBCZLTLI-UHFFFAOYSA-N
XLogP1.60
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (CID 70745499) is [1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is COCc1c(C(=O)N2CCCC(C(=O)c3nccn3C)C2)noc1C.
What is the InChIKey of [1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is UZRFCUOBCZLTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-13(10-24-3)14(19-25-11)17(23)21-7-4-5-12(9-21)15(22)16-18-6-8-20(16)2/h6,8,12H,4-5,7,9-10H2,1-3H3.
What are the key properties of [1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
[1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 346.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 70745499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).