3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine

C12H14N2O2 — CID 154238889

IUPAC3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine
SMILESNCCCOc1ccccc1-c1ccon1
InChIInChI=1S/C12H14N2O2/c13-7-3-8-15-12-5-2-1-4-10(12)11-6-9-16-14-11/h1-2,4-6,9H,3,7-8,13H2
InChIKeyDZPGQHWZCVORQX-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.07
Rot. Bonds5

About 3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine

3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine (PubChem CID 154238889) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine
PubChem CID154238889
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine
SMILESNCCCOc1ccccc1-c1ccon1
InChIInChI=1S/C12H14N2O2/c13-7-3-8-15-12-5-2-1-4-10(12)11-6-9-16-14-11/h1-2,4-6,9H,3,7-8,13H2
InChIKeyDZPGQHWZCVORQX-UHFFFAOYSA-N
XLogP2.07
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine
CID 28857982
3-(2-butoxy-5-chlorophenyl)-1,2-oxazole
CID 70811939
3-[2-[2-(trifluoromethyl)phenyl]phenoxy]propan-1-amine;hydrochloride
CID 170456477
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
3-[2-(2-fluoropropan-2-yl)phenoxy]propan-1-amine
CID 115027439
3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole
CID 126822772
5-[[5-[2-(3-aminopropoxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
CID 175957251
3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine
CID 170456496
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
methyl 4-[2-(3-aminopropoxy)phenyl]benzoate
CID 170456514
3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole
CID 70807935

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine?
The IUPAC name of 3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine (CID 154238889) is 3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine?
The canonical SMILES for 3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine is NCCCOc1ccccc1-c1ccon1.
What is the InChIKey of 3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine?
The InChIKey is DZPGQHWZCVORQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-7-3-8-15-12-5-2-1-4-10(12)11-6-9-16-14-11/h1-2,4-6,9H,3,7-8,13H2.
What are the key properties of 3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine?
3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine has a molecular weight of 218.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine is sourced from PubChem (CID 154238889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).