5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine

C13H13N3O2 — CID 116831941

IUPAC5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine
SMILESCCc1oc(N)nc1-c1ccc2nc(C)oc2c1
InChIInChI=1S/C13H13N3O2/c1-3-10-12(16-13(14)18-10)8-4-5-9-11(6-8)17-7(2)15-9/h4-6H,3H2,1-2H3,(H2,14,16)
InChIKeyFGDOCCNCPISTNN-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.94
Rot. Bonds2

About 5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine

5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine (PubChem CID 116831941) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine
PubChem CID116831941
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine
SMILESCCc1oc(N)nc1-c1ccc2nc(C)oc2c1
InChIInChI=1S/C13H13N3O2/c1-3-10-12(16-13(14)18-10)8-4-5-9-11(6-8)17-7(2)15-9/h4-6H,3H2,1-2H3,(H2,14,16)
InChIKeyFGDOCCNCPISTNN-UHFFFAOYSA-N
XLogP2.94
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832014
5-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-2-amine
CID 105472325
5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one
CID 116831905
4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine
CID 116831911
6-iodo-2-methyl-1,3-benzoxazole
CID 119084609
[3-(5-ethyl-2-methyl-1,3-oxazol-4-yl)phenyl]methanol
CID 105470995
4-(5-tert-butyl-2-methylphenyl)-5-ethyl-1,3-oxazol-2-amine
CID 116831894
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol
CID 84610529
6-methyl-1,3-benzoxazol-2-amine
CID 45079000
6-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methyl-1,3-benzoxazole
CID 116888966
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
CID 82403969

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine (CID 116831941) is 5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine is CCc1oc(N)nc1-c1ccc2nc(C)oc2c1.
What is the InChIKey of 5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine?
The InChIKey is FGDOCCNCPISTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-3-10-12(16-13(14)18-10)8-4-5-9-11(6-8)17-7(2)15-9/h4-6H,3H2,1-2H3,(H2,14,16).
What are the key properties of 5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine?
5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine has a molecular weight of 243.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 116831941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).