5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine

C11H12N2O2 — CID 16778457

IUPAC5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine
SMILESCc1ccc(/C=C/c2noc(C)c2N)o1
InChIInChI=1S/C11H12N2O2/c1-7-3-4-9(14-7)5-6-10-11(12)8(2)15-13-10/h3-6H,12H2,1-2H3/b6-5+
InChIKeyHKBREOYMFVYMBN-AATRIKPKSA-N
MW204.23 g/mol
LogP2.64
Rot. Bonds2

About 5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine

5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine (PubChem CID 16778457) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine
PubChem CID16778457
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine
SMILESCc1ccc(/C=C/c2noc(C)c2N)o1
InChIInChI=1S/C11H12N2O2/c1-7-3-4-9(14-7)5-6-10-11(12)8(2)15-13-10/h3-6H,12H2,1-2H3/b6-5+
InChIKeyHKBREOYMFVYMBN-AATRIKPKSA-N
XLogP2.64
TPSA65.19 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine?
The IUPAC name of 5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine (CID 16778457) is 5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine?
The canonical SMILES for 5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine is Cc1ccc(/C=C/c2noc(C)c2N)o1.
What is the InChIKey of 5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine?
The InChIKey is HKBREOYMFVYMBN-AATRIKPKSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-3-4-9(14-7)5-6-10-11(12)8(2)15-13-10/h3-6H,12H2,1-2H3/b6-5+.
What are the key properties of 5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine?
5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine has a molecular weight of 204.23 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 16778457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).