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

C12H15NO — CID 15939754

IUPAC(5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C12H15NO/c1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t12-/m1/s1
InChIKeyBNXYNGRXVQKVFV-GFCCVEGCSA-N
MW189.26 g/mol
LogP3.16
Rot. Bonds2

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

(5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 15939754) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID15939754
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C12H15NO/c1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t12-/m1/s1
InChIKeyBNXYNGRXVQKVFV-GFCCVEGCSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole (CID 15939754) is (5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole is CC(C)C1=NO[C@@H](c2ccccc2)C1.
What is the InChIKey of (5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is BNXYNGRXVQKVFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t12-/m1/s1.
What are the key properties of (5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
(5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 189.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 15939754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).