2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole

C14H19NO — CID 569048

IUPAC2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole
SMILESCC(C)C1OC(C)(C)N=C1c1ccccc1
InChIInChI=1S/C14H19NO/c1-10(2)13-12(15-14(3,4)16-13)11-8-6-5-7-9-11/h5-10,13H,1-4H3
InChIKeyJNGCJDBJSHESFK-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.27
Rot. Bonds2

About 2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole

2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole (PubChem CID 569048) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole.

Molecular Properties

Compound Name2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole
PubChem CID569048
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole
SMILESCC(C)C1OC(C)(C)N=C1c1ccccc1
InChIInChI=1S/C14H19NO/c1-10(2)13-12(15-14(3,4)16-13)11-8-6-5-7-9-11/h5-10,13H,1-4H3
InChIKeyJNGCJDBJSHESFK-UHFFFAOYSA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole?
The IUPAC name of 2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole (CID 569048) is 2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole.
What is the SMILES notation for 2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole?
The canonical SMILES for 2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole is CC(C)C1OC(C)(C)N=C1c1ccccc1.
What is the InChIKey of 2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole?
The InChIKey is JNGCJDBJSHESFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)13-12(15-14(3,4)16-13)11-8-6-5-7-9-11/h5-10,13H,1-4H3.
What are the key properties of 2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole?
2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenyl-5-propan-2-yl-5H-1,3-oxazole is sourced from PubChem (CID 569048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).