5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine

C11H12N2O2 — CID 82112667

IUPAC5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)cc1C
InChIInChI=1S/C11H12N2O2/c1-7-5-8(3-4-9(7)14-2)10-6-11(12)13-15-10/h3-6H,1-2H3,(H2,12,13)
InChIKeyPRYNNENEOFSRCE-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.24
Rot. Bonds2

About 5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine

5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 82112667) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID82112667
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)cc1C
InChIInChI=1S/C11H12N2O2/c1-7-5-8(3-4-9(7)14-2)10-6-11(12)13-15-10/h3-6H,1-2H3,(H2,12,13)
InChIKeyPRYNNENEOFSRCE-UHFFFAOYSA-N
XLogP2.24
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine (CID 82112667) is 5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine is COc1ccc(-c2cc(N)no2)cc1C.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is PRYNNENEOFSRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-5-8(3-4-9(7)14-2)10-6-11(12)13-15-10/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine?
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 204.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82112667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).