(5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole

C14H19NO — CID 24881560

IUPAC(5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1CN=C(c2ccc(C(C)(C)C)cc2)O1
InChIInChI=1S/C14H19NO/c1-10-9-15-13(16-10)11-5-7-12(8-6-11)14(2,3)4/h5-8,10H,9H2,1-4H3/t10-/m1/s1
InChIKeyIDQQQPDVMAQEJF-SNVBAGLBSA-N
MW217.31 g/mol
LogP3.15
Rot. Bonds1

About (5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole

(5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 24881560) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole
PubChem CID24881560
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1CN=C(c2ccc(C(C)(C)C)cc2)O1
InChIInChI=1S/C14H19NO/c1-10-9-15-13(16-10)11-5-7-12(8-6-11)14(2,3)4/h5-8,10H,9H2,1-4H3/t10-/m1/s1
InChIKeyIDQQQPDVMAQEJF-SNVBAGLBSA-N
XLogP3.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole (CID 24881560) is (5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole is C[C@@H]1CN=C(c2ccc(C(C)(C)C)cc2)O1.
What is the InChIKey of (5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IDQQQPDVMAQEJF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-9-15-13(16-10)11-5-7-12(8-6-11)14(2,3)4/h5-8,10H,9H2,1-4H3/t10-/m1/s1.
What are the key properties of (5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
(5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 24881560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).