2-benzyl-5-methylidene-4H-1,3-oxazole

C11H11NO — CID 102163816

IUPAC2-benzyl-5-methylidene-4H-1,3-oxazole
SMILESC=C1CN=C(Cc2ccccc2)O1
InChIInChI=1S/C11H11NO/c1-9-8-12-11(13-9)7-10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChIKeyCFILEVSSOWKEOC-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.17
Rot. Bonds2

About 2-benzyl-5-methylidene-4H-1,3-oxazole

2-benzyl-5-methylidene-4H-1,3-oxazole (PubChem CID 102163816) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-benzyl-5-methylidene-4H-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-5-methylidene-4H-1,3-oxazole
PubChem CID102163816
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-benzyl-5-methylidene-4H-1,3-oxazole
SMILESC=C1CN=C(Cc2ccccc2)O1
InChIInChI=1S/C11H11NO/c1-9-8-12-11(13-9)7-10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChIKeyCFILEVSSOWKEOC-UHFFFAOYSA-N
XLogP2.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
5-Methylene-2-phenyl-4,5-dihydrooxazole
CID 10057790
2-(2-Phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
CID 134938644
(5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole
CID 134862158
2-benzyl-5,6-dihydro-4H-1,3-oxazine
CID 10702404
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 12694682
2-Benzyl-5,5-dimethyloxazoline
CID 13546526
(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 15619834
Vinylbenzyloxazoline
CID 69039732

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methylidene-4H-1,3-oxazole?
The IUPAC name of 2-benzyl-5-methylidene-4H-1,3-oxazole (CID 102163816) is 2-benzyl-5-methylidene-4H-1,3-oxazole.
What is the SMILES notation for 2-benzyl-5-methylidene-4H-1,3-oxazole?
The canonical SMILES for 2-benzyl-5-methylidene-4H-1,3-oxazole is C=C1CN=C(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-5-methylidene-4H-1,3-oxazole?
The InChIKey is CFILEVSSOWKEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-9-8-12-11(13-9)7-10-5-3-2-4-6-10/h2-6H,1,7-8H2.
What are the key properties of 2-benzyl-5-methylidene-4H-1,3-oxazole?
2-benzyl-5-methylidene-4H-1,3-oxazole has a molecular weight of 173.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methylidene-4H-1,3-oxazole is sourced from PubChem (CID 102163816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).