5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole

C12H11NO — CID 102163817

IUPAC5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole
SMILESC=C1CN=C(/C=C/c2ccccc2)O1
InChIInChI=1S/C12H11NO/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-8H,1,9H2/b8-7+
InChIKeyUVRYEENQHAABMG-BQYQJAHWSA-N
MW185.23 g/mol
LogP2.64
Rot. Bonds2

About 5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole

5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole (PubChem CID 102163817) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole.

Molecular Properties

Compound Name5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole
PubChem CID102163817
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole
SMILESC=C1CN=C(/C=C/c2ccccc2)O1
InChIInChI=1S/C12H11NO/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-8H,1,9H2/b8-7+
InChIKeyUVRYEENQHAABMG-BQYQJAHWSA-N
XLogP2.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-
CID 6311587
2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 21893989
(4S,5S)-2-Styryl-5-vinyl-4,5-dihydro-oxazole-4-thiol
CID 44394637
5-Methylene-2-phenyl-4,5-dihydrooxazole
CID 10057790
4,4-Dimethyl-2-(2-phenylethenyl)-2-oxazoline
CID 121136
2-Styryl-4,5-dihydrooxazole
CID 54104859
Oxazole, 2-ethenyl-4,5-dihydro-, polymer with ethenylbenzene
CID 66694655
2-Prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene
CID 66616964
(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 11063472
(5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole
CID 45112531
4-Ethyl-2-styryl-4,5-dihydrooxazole
CID 102025125
2-Phenyl-5-vinylidene-2-oxazoline
CID 168069241

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole?
The IUPAC name of 5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole (CID 102163817) is 5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole.
What is the SMILES notation for 5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole?
The canonical SMILES for 5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole is C=C1CN=C(/C=C/c2ccccc2)O1.
What is the InChIKey of 5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole?
The InChIKey is UVRYEENQHAABMG-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H11NO/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-8H,1,9H2/b8-7+.
What are the key properties of 5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole?
5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole has a molecular weight of 185.23 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole is sourced from PubChem (CID 102163817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).