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

C12H13NO2 — CID 6992728

IUPAC(4S)-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-/m0/s1
InChIKeyKSSKJTXJMKNHPG-JTQLQIEISA-N
MW203.24 g/mol
LogP2.01
Rot. Bonds2

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

(4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 6992728) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID6992728
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(4S)-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-/m0/s1
InChIKeyKSSKJTXJMKNHPG-JTQLQIEISA-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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Related Compounds

Oxazolone
CID 1712094
2-Phenyl-2-oxazoline
CID 244030
4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Azlactone
CID 65073
(E)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
CID 1712093
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
(4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one
CID 6078227
4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 704134
(4Z)-4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 704135
2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5(4H)-one
CID 5384655
benzyl (2S)-2-amino-3-methylbutanoate
CID 6950584

Frequently Asked Questions

What is the IUPAC name of (4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of (4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 6992728) is (4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for (4S)-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 (4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is KSSKJTXJMKNHPG-JTQLQIEISA-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-/m0/s1.
What are the key properties of (4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
(4S)-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 (4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 6992728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).