4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole

C12H13NO — CID 15411099

IUPAC4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole
SMILESC=C1OC(c2ccccc2)=NC1(C)C
InChIInChI=1S/C12H13NO/c1-9-12(2,3)13-11(14-9)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeySECVTCOWSKPUDY-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.76
Rot. Bonds1

About 4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole

4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole (PubChem CID 15411099) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole
PubChem CID15411099
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole
SMILESC=C1OC(c2ccccc2)=NC1(C)C
InChIInChI=1S/C12H13NO/c1-9-12(2,3)13-11(14-9)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeySECVTCOWSKPUDY-UHFFFAOYSA-N
XLogP2.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole (CID 15411099) is 4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole is C=C1OC(c2ccccc2)=NC1(C)C.
What is the InChIKey of 4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole?
The InChIKey is SECVTCOWSKPUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-12(2,3)13-11(14-9)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3.
What are the key properties of 4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole?
4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole has a molecular weight of 187.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-methylidene-2-phenyl-1,3-oxazole is sourced from PubChem (CID 15411099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).