(2E)-2-ethylidene-3-methyl-1,3-benzoxazole

C10H11NO — CID 143296132

IUPAC(2E)-2-ethylidene-3-methyl-1,3-benzoxazole
SMILESC/C=C1/Oc2ccccc2N1C
InChIInChI=1S/C10H11NO/c1-3-10-11(2)8-6-4-5-7-9(8)12-10/h3-7H,1-2H3/b10-3+
InChIKeyXXKMGNYHBBJATF-XCVCLJGOSA-N
MW161.20 g/mol
LogP2.38
Rot. Bonds

About (2E)-2-ethylidene-3-methyl-1,3-benzoxazole

(2E)-2-ethylidene-3-methyl-1,3-benzoxazole (PubChem CID 143296132) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (2E)-2-ethylidene-3-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name(2E)-2-ethylidene-3-methyl-1,3-benzoxazole
PubChem CID143296132
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(2E)-2-ethylidene-3-methyl-1,3-benzoxazole
SMILESC/C=C1/Oc2ccccc2N1C
InChIInChI=1S/C10H11NO/c1-3-10-11(2)8-6-4-5-7-9(8)12-10/h3-7H,1-2H3/b10-3+
InChIKeyXXKMGNYHBBJATF-XCVCLJGOSA-N
XLogP2.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3-methyl-1,3-benzoxazole?
The IUPAC name of (2E)-2-ethylidene-3-methyl-1,3-benzoxazole (CID 143296132) is (2E)-2-ethylidene-3-methyl-1,3-benzoxazole.
What is the SMILES notation for (2E)-2-ethylidene-3-methyl-1,3-benzoxazole?
The canonical SMILES for (2E)-2-ethylidene-3-methyl-1,3-benzoxazole is C/C=C1/Oc2ccccc2N1C.
What is the InChIKey of (2E)-2-ethylidene-3-methyl-1,3-benzoxazole?
The InChIKey is XXKMGNYHBBJATF-XCVCLJGOSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-10-11(2)8-6-4-5-7-9(8)12-10/h3-7H,1-2H3/b10-3+.
What are the key properties of (2E)-2-ethylidene-3-methyl-1,3-benzoxazole?
(2E)-2-ethylidene-3-methyl-1,3-benzoxazole has a molecular weight of 161.20 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3-methyl-1,3-benzoxazole is sourced from PubChem (CID 143296132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).