4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine

C14H18N2O2 — CID 115112198

IUPAC4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine
SMILESCOCC(C)(C)c1ccc(-c2cnoc2N)cc1
InChIInChI=1S/C14H18N2O2/c1-14(2,9-17-3)11-6-4-10(5-7-11)12-8-16-18-13(12)15/h4-8H,9,15H2,1-3H3
InChIKeyVYIRRPDUZQZYIB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.85
Rot. Bonds4

About 4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine

4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine (PubChem CID 115112198) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine
PubChem CID115112198
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine
SMILESCOCC(C)(C)c1ccc(-c2cnoc2N)cc1
InChIInChI=1S/C14H18N2O2/c1-14(2,9-17-3)11-6-4-10(5-7-11)12-8-16-18-13(12)15/h4-8H,9,15H2,1-3H3
InChIKeyVYIRRPDUZQZYIB-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine (CID 115112198) is 4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine is COCC(C)(C)c1ccc(-c2cnoc2N)cc1.
What is the InChIKey of 4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is VYIRRPDUZQZYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,9-17-3)11-6-4-10(5-7-11)12-8-16-18-13(12)15/h4-8H,9,15H2,1-3H3.
What are the key properties of 4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine?
4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 246.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 115112198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).