N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide

C14H23N3O3 — CID 77090533

IUPACN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)C1CCCCO1
InChIInChI=1S/C14H23N3O3/c1-16-10-12(9-15-16)11-17(6-8-19-2)14(18)13-5-3-4-7-20-13/h9-10,13H,3-8,11H2,1-2H3
InChIKeyOBYFUJUJURIHMD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.96
Rot. Bonds6

About N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide (PubChem CID 77090533) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide
PubChem CID77090533
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)C1CCCCO1
InChIInChI=1S/C14H23N3O3/c1-16-10-12(9-15-16)11-17(6-8-19-2)14(18)13-5-3-4-7-20-13/h9-10,13H,3-8,11H2,1-2H3
InChIKeyOBYFUJUJURIHMD-UHFFFAOYSA-N
XLogP0.96
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide (CID 77090533) is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide is COCCN(Cc1cnn(C)c1)C(=O)C1CCCCO1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide?
The InChIKey is OBYFUJUJURIHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-16-10-12(9-15-16)11-17(6-8-19-2)14(18)13-5-3-4-7-20-13/h9-10,13H,3-8,11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide?
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]oxane-2-carboxamide is sourced from PubChem (CID 77090533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).