4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole

C17H26N4O — CID 136563410

IUPAC4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1CN1CCC(c2nc(C)c(C)[nH]2)CC1
InChIInChI=1S/C17H26N4O/c1-5-16-15(13(4)20-22-16)10-21-8-6-14(7-9-21)17-18-11(2)12(3)19-17/h14H,5-10H2,1-4H3,(H,18,19)
InChIKeyJEXVPUXZKOYSLM-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.26
Rot. Bonds4

About 4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole

4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole (PubChem CID 136563410) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole
PubChem CID136563410
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1CN1CCC(c2nc(C)c(C)[nH]2)CC1
InChIInChI=1S/C17H26N4O/c1-5-16-15(13(4)20-22-16)10-21-8-6-14(7-9-21)17-18-11(2)12(3)19-17/h14H,5-10H2,1-4H3,(H,18,19)
InChIKeyJEXVPUXZKOYSLM-UHFFFAOYSA-N
XLogP3.26
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole?
The IUPAC name of 4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole (CID 136563410) is 4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole?
The canonical SMILES for 4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole is CCc1onc(C)c1CN1CCC(c2nc(C)c(C)[nH]2)CC1.
What is the InChIKey of 4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole?
The InChIKey is JEXVPUXZKOYSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-5-16-15(13(4)20-22-16)10-21-8-6-14(7-9-21)17-18-11(2)12(3)19-17/h14H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole?
4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole has a molecular weight of 302.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 136563410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).