(4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one

C12H13NO2 — CID 7039748

IUPAC(4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)[C@H]1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C12H13NO2/c1-8(2)10-12(14)15-11(13-10)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t10-/m1/s1
InChIKeyKSSKJTXJMKNHPG-SNVBAGLBSA-N
MW203.24 g/mol
LogP2.01
Rot. Bonds2

About (4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one

(4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 7039748) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID7039748
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)[C@H]1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C12H13NO2/c1-8(2)10-12(14)15-11(13-10)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t10-/m1/s1
InChIKeyKSSKJTXJMKNHPG-SNVBAGLBSA-N
XLogP2.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of (4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 7039748) is (4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for (4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one is CC(C)[C@H]1N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is KSSKJTXJMKNHPG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(2)10-12(14)15-11(13-10)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
(4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 203.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 7039748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).