1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine

C12H14N2O2 — CID 173233608

IUPAC1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine
SMILESCc1nc(-c2ccc(OC(C)N)cc2)co1
InChIInChI=1S/C12H14N2O2/c1-8(13)16-11-5-3-10(4-6-11)12-7-15-9(2)14-12/h3-8H,13H2,1-2H3
InChIKeyWXXJPRPIEOMXIG-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine

1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine (PubChem CID 173233608) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine
PubChem CID173233608
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine
SMILESCc1nc(-c2ccc(OC(C)N)cc2)co1
InChIInChI=1S/C12H14N2O2/c1-8(13)16-11-5-3-10(4-6-11)12-7-15-9(2)14-12/h3-8H,13H2,1-2H3
InChIKeyWXXJPRPIEOMXIG-UHFFFAOYSA-N
XLogP2.33
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235
3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 60837809
1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 115022579
4-[4-(1-aminoethoxy)phenyl]phenol
CID 163497782
4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43704850
N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704826
N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704863
4-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 80543333
1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974771
4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
CID 43704914
N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 103438995
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine?
The IUPAC name of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine (CID 173233608) is 1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine.
What is the SMILES notation for 1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine?
The canonical SMILES for 1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine is Cc1nc(-c2ccc(OC(C)N)cc2)co1.
What is the InChIKey of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine?
The InChIKey is WXXJPRPIEOMXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(13)16-11-5-3-10(4-6-11)12-7-15-9(2)14-12/h3-8H,13H2,1-2H3.
What are the key properties of 1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine?
1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine has a molecular weight of 218.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine is sourced from PubChem (CID 173233608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).