N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide

C15H25N3O3 — CID 91923939

IUPACN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide
SMILESCOCCn1c(C)cnc1CCNC(=O)C1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-12-11-17-14(18(12)7-10-20-2)3-6-16-15(19)13-4-8-21-9-5-13/h11,13H,3-10H2,1-2H3,(H,16,19)
InChIKeyGXJWFWPELWHXIU-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.92
Rot. Bonds7

About N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide

N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide (PubChem CID 91923939) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide
PubChem CID91923939
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide
SMILESCOCCn1c(C)cnc1CCNC(=O)C1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-12-11-17-14(18(12)7-10-20-2)3-6-16-15(19)13-4-8-21-9-5-13/h11,13H,3-10H2,1-2H3,(H,16,19)
InChIKeyGXJWFWPELWHXIU-UHFFFAOYSA-N
XLogP0.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide (CID 91923939) is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide is COCCn1c(C)cnc1CCNC(=O)C1CCOCC1.
What is the InChIKey of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide?
The InChIKey is GXJWFWPELWHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-12-11-17-14(18(12)7-10-20-2)3-6-16-15(19)13-4-8-21-9-5-13/h11,13H,3-10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide?
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 91923939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).