2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C15H21NO — CID 13184752

IUPAC2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cccc(CC)c1C1=NC(C)(C)CO1
InChIInChI=1S/C15H21NO/c1-5-11-8-7-9-12(6-2)13(11)14-16-15(3,4)10-17-14/h7-9H,5-6,10H2,1-4H3
InChIKeyNFCVSRHSKOFQNP-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.37
Rot. Bonds3

About 2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 13184752) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID13184752
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cccc(CC)c1C1=NC(C)(C)CO1
InChIInChI=1S/C15H21NO/c1-5-11-8-7-9-12(6-2)13(11)14-16-15(3,4)10-17-14/h7-9H,5-6,10H2,1-4H3
InChIKeyNFCVSRHSKOFQNP-UHFFFAOYSA-N
XLogP3.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 13184752) is 2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole is CCc1cccc(CC)c1C1=NC(C)(C)CO1.
What is the InChIKey of 2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is NFCVSRHSKOFQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-11-8-7-9-12(6-2)13(11)14-16-15(3,4)10-17-14/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 13184752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).