[5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine

C14H18N2O3 — CID 98017234

IUPAC[5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine
SMILESCOCCOc1ccc(-c2onc(C)c2CN)cc1
InChIInChI=1S/C14H18N2O3/c1-10-13(9-15)14(19-16-10)11-3-5-12(6-4-11)18-8-7-17-2/h3-6H,7-9,15H2,1-2H3
InChIKeyTZVXFFOLYSTQOJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.13
Rot. Bonds6

About [5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine

[5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine (PubChem CID 98017234) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine
PubChem CID98017234
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine
SMILESCOCCOc1ccc(-c2onc(C)c2CN)cc1
InChIInChI=1S/C14H18N2O3/c1-10-13(9-15)14(19-16-10)11-3-5-12(6-4-11)18-8-7-17-2/h3-6H,7-9,15H2,1-2H3
InChIKeyTZVXFFOLYSTQOJ-UHFFFAOYSA-N
XLogP2.13
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82475978
3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302127
[4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol
CID 54846772
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate
CID 162350991
4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
CID 95450329
[5-[4-(2-methoxyethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 98017803
5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole
CID 167131340
3-[4-(2-methoxyethoxy)phenyl]-2-methylpyridine
CID 90168005
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine
CID 79485113
[4-(2-methoxyethoxy)-2-pyridinyl]methanamine
CID 62292533

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine (CID 98017234) is [5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine is COCCOc1ccc(-c2onc(C)c2CN)cc1.
What is the InChIKey of [5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine?
The InChIKey is TZVXFFOLYSTQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-13(9-15)14(19-16-10)11-3-5-12(6-4-11)18-8-7-17-2/h3-6H,7-9,15H2,1-2H3.
What are the key properties of [5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine?
[5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine has a molecular weight of 262.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 98017234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).