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

C12H18N4O2 — CID 65237419

IUPACN-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnoc1-c1cn(C)nc1C
InChIInChI=1S/C12H18N4O2/c1-9-11(8-16(2)15-9)12-10(7-14-18-12)6-13-4-5-17-3/h7-8,13H,4-6H2,1-3H3
InChIKeyZESAPALISMAOCT-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.12
Rot. Bonds6

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

N-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 65237419) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID65237419
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnoc1-c1cn(C)nc1C
InChIInChI=1S/C12H18N4O2/c1-9-11(8-16(2)15-9)12-10(7-14-18-12)6-13-4-5-17-3/h7-8,13H,4-6H2,1-3H3
InChIKeyZESAPALISMAOCT-UHFFFAOYSA-N
XLogP1.12
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.12
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-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine (CID 65237419) is N-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cnoc1-c1cn(C)nc1C.
What is the InChIKey of N-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is ZESAPALISMAOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-11(8-16(2)15-9)12-10(7-14-18-12)6-13-4-5-17-3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of N-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 250.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65237419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).