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

C13H20N4O2 — CID 79145594

IUPACN-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCn1nc(C)cc1-c1ocnc1CNCCOC
InChIInChI=1S/C13H20N4O2/c1-4-17-12(7-10(2)16-17)13-11(15-9-19-13)8-14-5-6-18-3/h7,9,14H,4-6,8H2,1-3H3
InChIKeyVISWTZHNBWIICJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.60
Rot. Bonds7

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

N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 79145594) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID79145594
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCn1nc(C)cc1-c1ocnc1CNCCOC
InChIInChI=1S/C13H20N4O2/c1-4-17-12(7-10(2)16-17)13-11(15-9-19-13)8-14-5-6-18-3/h7,9,14H,4-6,8H2,1-3H3
InChIKeyVISWTZHNBWIICJ-UHFFFAOYSA-N
XLogP1.60
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.60
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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Related Compounds

[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methanamine
CID 79139245
2-methoxy-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145029
3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 66120896
N-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148458
N-[[5-(2-fluoro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79145692
2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79148073
N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 106864643
N-[[5-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148265
5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 66120095
N-[[5-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376386
2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144930
N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79144750

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (CID 79145594) is N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is CCn1nc(C)cc1-c1ocnc1CNCCOC.
What is the InChIKey of N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is VISWTZHNBWIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-17-12(7-10(2)16-17)13-11(15-9-19-13)8-14-5-6-18-3/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 264.33 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79145594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).