4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine

C14H18N2O2 — CID 115112170

IUPAC4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine
SMILESCOC(C)(C)Cc1cccc(-c2cnoc2N)c1
InChIInChI=1S/C14H18N2O2/c1-14(2,17-3)8-10-5-4-6-11(7-10)12-9-16-18-13(12)15/h4-7,9H,8,15H2,1-3H3
InChIKeyJWPYSZCOJPNOIK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.89
Rot. Bonds4

About 4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine

4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 115112170) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine
PubChem CID115112170
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine
SMILESCOC(C)(C)Cc1cccc(-c2cnoc2N)c1
InChIInChI=1S/C14H18N2O2/c1-14(2,17-3)8-10-5-4-6-11(7-10)12-9-16-18-13(12)15/h4-7,9H,8,15H2,1-3H3
InChIKeyJWPYSZCOJPNOIK-UHFFFAOYSA-N
XLogP2.89
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine (CID 115112170) is 4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine is COC(C)(C)Cc1cccc(-c2cnoc2N)c1.
What is the InChIKey of 4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is JWPYSZCOJPNOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,17-3)8-10-5-4-6-11(7-10)12-9-16-18-13(12)15/h4-7,9H,8,15H2,1-3H3.
What are the key properties of 4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine?
4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 246.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 115112170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).