[5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine

C18H18N2O3 — CID 54846749

IUPAC[5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(-c2ccccc2OCCOc2ccccc2)on1
InChIInChI=1S/C18H18N2O3/c19-13-14-12-18(23-20-14)16-8-4-5-9-17(16)22-11-10-21-15-6-2-1-3-7-15/h1-9,12H,10-11,13,19H2
InChIKeyDCQIIYWOMCWZJK-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.26
Rot. Bonds7

About [5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine

[5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 54846749) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine
PubChem CID54846749
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(-c2ccccc2OCCOc2ccccc2)on1
InChIInChI=1S/C18H18N2O3/c19-13-14-12-18(23-20-14)16-8-4-5-9-17(16)22-11-10-21-15-6-2-1-3-7-15/h1-9,12H,10-11,13,19H2
InChIKeyDCQIIYWOMCWZJK-UHFFFAOYSA-N
XLogP3.26
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine
CID 54846823
5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
CID 54846502
4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 28857922
N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 54847006
3-[3-[[4-(phenoxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 59255496
5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
CID 175957251
(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanamine
CID 54846604
3-(1-methylpiperazin-2-yl)-5-[2-(2-phenoxyethoxy)phenyl]-1,2,4-oxadiazole
CID 120959055
[5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol
CID 54847413
3-[3-[(4-phenoxyphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 67130843
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
CID 107700188

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine (CID 54846749) is [5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine is NCc1cc(-c2ccccc2OCCOc2ccccc2)on1.
What is the InChIKey of [5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is DCQIIYWOMCWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c19-13-14-12-18(23-20-14)16-8-4-5-9-17(16)22-11-10-21-15-6-2-1-3-7-15/h1-9,12H,10-11,13,19H2.
What are the key properties of [5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine?
[5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 310.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 54846749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).