5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine

C11H12N2O — CID 112708793

IUPAC5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine
SMILESCc1ccc(Cc2oncc2N)cc1
InChIInChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)6-11-10(12)7-13-14-11/h2-5,7H,6,12H2,1H3
InChIKeyJGROXBWLWRHHRP-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.16
Rot. Bonds2

About 5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine

5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine (PubChem CID 112708793) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine
PubChem CID112708793
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine
SMILESCc1ccc(Cc2oncc2N)cc1
InChIInChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)6-11-10(12)7-13-14-11/h2-5,7H,6,12H2,1H3
InChIKeyJGROXBWLWRHHRP-UHFFFAOYSA-N
XLogP2.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine?
The IUPAC name of 5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine (CID 112708793) is 5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine is Cc1ccc(Cc2oncc2N)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine?
The InChIKey is JGROXBWLWRHHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)6-11-10(12)7-13-14-11/h2-5,7H,6,12H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine?
5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine has a molecular weight of 188.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 112708793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).