5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole

C14H19NO — CID 89071559

IUPAC5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC(C)CC1C(c2ccccc2)=NOC1C
InChIInChI=1S/C14H19NO/c1-10(2)9-13-11(3)16-15-14(13)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKeyAESXJOAPLQJCEE-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.47
Rot. Bonds3

About 5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole

5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 89071559) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID89071559
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC(C)CC1C(c2ccccc2)=NOC1C
InChIInChI=1S/C14H19NO/c1-10(2)9-13-11(3)16-15-14(13)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKeyAESXJOAPLQJCEE-UHFFFAOYSA-N
XLogP3.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 89071559) is 5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole is CC(C)CC1C(c2ccccc2)=NOC1C.
What is the InChIKey of 5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is AESXJOAPLQJCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)9-13-11(3)16-15-14(13)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3.
What are the key properties of 5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89071559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).