5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole

C13H17NO — CID 13083663

IUPAC5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1C(c2ccccc2)=NOC1C
InChIInChI=1S/C13H17NO/c1-9(2)12-10(3)15-14-13(12)11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyKXPYTDVARCRSQT-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.08
Rot. Bonds2

About 5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole

5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 13083663) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID13083663
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1C(c2ccccc2)=NOC1C
InChIInChI=1S/C13H17NO/c1-9(2)12-10(3)15-14-13(12)11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyKXPYTDVARCRSQT-UHFFFAOYSA-N
XLogP3.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole (CID 13083663) is 5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole is CC(C)C1C(c2ccccc2)=NOC1C.
What is the InChIKey of 5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is KXPYTDVARCRSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)12-10(3)15-14-13(12)11-7-5-4-6-8-11/h4-10,12H,1-3H3.
What are the key properties of 5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 203.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13083663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).