4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine

C12H14N2O3 — CID 95450329

IUPAC4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
SMILESCOCCOc1ccc(-c2coc(N)n2)cc1
InChIInChI=1S/C12H14N2O3/c1-15-6-7-16-10-4-2-9(3-5-10)11-8-17-12(13)14-11/h2-5,8H,6-7H2,1H3,(H2,13,14)
InChIKeyHWDPXUBNEUBVGH-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.95
Rot. Bonds5

About 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine

4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine (PubChem CID 95450329) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
PubChem CID95450329
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
SMILESCOCCOc1ccc(-c2coc(N)n2)cc1
InChIInChI=1S/C12H14N2O3/c1-15-6-7-16-10-4-2-9(3-5-10)11-8-17-12(13)14-11/h2-5,8H,6-7H2,1H3,(H2,13,14)
InChIKeyHWDPXUBNEUBVGH-UHFFFAOYSA-N
XLogP1.95
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.95
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

4-(4-butoxyphenyl)-1,3-oxazol-2-amine
CID 95448867
4-(4-ethoxyphenyl)-1,3-oxazol-2-amine
CID 62065908
6-[4-(2-methoxyethoxy)phenyl]pyridazin-3-amine
CID 96662586
[4-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]hydrazine
CID 95471163
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117370752
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
2-[4-(2-methoxyethoxy)phenyl]-7-phenylquinolin-4-amine
CID 176600656
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
(1R)-1-[6-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]ethanol
CID 126446543
[5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine
CID 98017234
6-[4-(2-methoxyethoxy)phenyl]-N-methylpyridazin-3-amine
CID 98016971
2-[4-(3-methoxypropoxy)phenyl]furan
CID 168527685

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine?
The IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine (CID 95450329) is 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine is COCCOc1ccc(-c2coc(N)n2)cc1.
What is the InChIKey of 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine?
The InChIKey is HWDPXUBNEUBVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-15-6-7-16-10-4-2-9(3-5-10)11-8-17-12(13)14-11/h2-5,8H,6-7H2,1H3,(H2,13,14).
What are the key properties of 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine?
4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine has a molecular weight of 234.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 95450329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).