(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C12H15NO — CID 10947327

IUPAC(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C12H15NO/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKeyQPADYYUBHQRRIR-LLVKDONJSA-N
MW189.26 g/mol
LogP2.49
Rot. Bonds2

About (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 10947327) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID10947327
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C12H15NO/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKeyQPADYYUBHQRRIR-LLVKDONJSA-N
XLogP2.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 10947327) is (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(c2ccccc2)=N1.
What is the InChIKey of (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is QPADYYUBHQRRIR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10947327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).