4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole

C12H15NO — CID 151126752

IUPAC4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole
SMILESCC1(CCc2ccccc2)COC=N1
InChIInChI=1S/C12H15NO/c1-12(9-14-10-13-12)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyMTIVFSPDTKRQJZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.44
Rot. Bonds3

About 4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole

4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole (PubChem CID 151126752) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole
PubChem CID151126752
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole
SMILESCC1(CCc2ccccc2)COC=N1
InChIInChI=1S/C12H15NO/c1-12(9-14-10-13-12)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyMTIVFSPDTKRQJZ-UHFFFAOYSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
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N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
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4,4,5-trimethyl-2-phenyl-5-(2-phenylethyl)-1,3,2-dioxaborolane
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CID 173267192
CID 173267192
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole?
The IUPAC name of 4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole (CID 151126752) is 4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole.
What is the SMILES notation for 4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole?
The canonical SMILES for 4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole is CC1(CCc2ccccc2)COC=N1.
What is the InChIKey of 4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole?
The InChIKey is MTIVFSPDTKRQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(9-14-10-13-12)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of 4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole?
4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-phenylethyl)-5H-1,3-oxazole is sourced from PubChem (CID 151126752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).