N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine

C14H22N4O2 — CID 65237515

IUPACN-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCn1nc(C)c(-c2oncc2CNCCOC)c1C
InChIInChI=1S/C14H22N4O2/c1-5-18-11(3)13(10(2)17-18)14-12(9-16-20-14)8-15-6-7-19-4/h9,15H,5-8H2,1-4H3
InChIKeyNQLDHBCHRBXOJT-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.91
Rot. Bonds7

About N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 65237515) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID65237515
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCn1nc(C)c(-c2oncc2CNCCOC)c1C
InChIInChI=1S/C14H22N4O2/c1-5-18-11(3)13(10(2)17-18)14-12(9-16-20-14)8-15-6-7-19-4/h9,15H,5-8H2,1-4H3
InChIKeyNQLDHBCHRBXOJT-UHFFFAOYSA-N
XLogP1.91
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine (CID 65237515) is N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine is CCn1nc(C)c(-c2oncc2CNCCOC)c1C.
What is the InChIKey of N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is NQLDHBCHRBXOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-18-11(3)13(10(2)17-18)14-12(9-16-20-14)8-15-6-7-19-4/h9,15H,5-8H2,1-4H3.
What are the key properties of N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 278.36 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65237515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).