(5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole

C14H17NO — CID 54769459

IUPAC(5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole
SMILESCC(C)(C)C1=NC/C(=C/c2ccccc2)O1
InChIInChI=1S/C14H17NO/c1-14(2,3)13-15-10-12(16-13)9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b12-9-
InChIKeyOKWKDUSMWLCXEV-XFXZXTDPSA-N
MW215.30 g/mol
LogP3.50
Rot. Bonds1

About (5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole

(5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole (PubChem CID 54769459) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole
PubChem CID54769459
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole
SMILESCC(C)(C)C1=NC/C(=C/c2ccccc2)O1
InChIInChI=1S/C14H17NO/c1-14(2,3)13-15-10-12(16-13)9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b12-9-
InChIKeyOKWKDUSMWLCXEV-XFXZXTDPSA-N
XLogP3.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole?
The IUPAC name of (5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole (CID 54769459) is (5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole.
What is the SMILES notation for (5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole?
The canonical SMILES for (5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole is CC(C)(C)C1=NC/C(=C/c2ccccc2)O1.
What is the InChIKey of (5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole?
The InChIKey is OKWKDUSMWLCXEV-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(2,3)13-15-10-12(16-13)9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b12-9-.
What are the key properties of (5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole?
(5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-tert-butyl-4H-1,3-oxazole is sourced from PubChem (CID 54769459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).