5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine

C11H12N2O2 — CID 117192276

IUPAC5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine
SMILESCc1ccc(OCc2cnc(N)o2)cc1
InChIInChI=1S/C11H12N2O2/c1-8-2-4-9(5-3-8)14-7-10-6-13-11(12)15-10/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyLTXRQBUFCYFHCP-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.14
Rot. Bonds3

About 5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine

5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine (PubChem CID 117192276) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine
PubChem CID117192276
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine
SMILESCc1ccc(OCc2cnc(N)o2)cc1
InChIInChI=1S/C11H12N2O2/c1-8-2-4-9(5-3-8)14-7-10-6-13-11(12)15-10/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyLTXRQBUFCYFHCP-UHFFFAOYSA-N
XLogP2.14
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine (CID 117192276) is 5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine is Cc1ccc(OCc2cnc(N)o2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine?
The InChIKey is LTXRQBUFCYFHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-2-4-9(5-3-8)14-7-10-6-13-11(12)15-10/h2-6H,7H2,1H3,(H2,12,13).
What are the key properties of 5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine?
5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine has a molecular weight of 204.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 117192276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).