(4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole

C13H17NO — CID 102277963

IUPAC(4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C13H17NO/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChIKeyGQQWSKVVWMLALT-LLVKDONJSA-N
MW203.28 g/mol
LogP3.20
Rot. Bonds1

About (4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 102277963) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID102277963
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C13H17NO/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChIKeyGQQWSKVVWMLALT-LLVKDONJSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole (CID 102277963) is (4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole is CC(C)(C)C1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is GQQWSKVVWMLALT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 203.28 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102277963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).