(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate

C12H13NO3 — CID 24976673

IUPAC(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate
SMILESCC(=O)OCC1CN=C(c2ccccc2)O1
InChIInChI=1S/C12H13NO3/c1-9(14)15-8-11-7-13-12(16-11)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyGQDSKXZRBMERHE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.40
Rot. Bonds3

About (2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate

(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate (PubChem CID 24976673) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate.

Molecular Properties

Compound Name(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate
PubChem CID24976673
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate
SMILESCC(=O)OCC1CN=C(c2ccccc2)O1
InChIInChI=1S/C12H13NO3/c1-9(14)15-8-11-7-13-12(16-11)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyGQDSKXZRBMERHE-UHFFFAOYSA-N
XLogP1.40
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Oxazolone
CID 1712094
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
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
Benzyl 2-isocyanoacetate
CID 561774
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
Mls002667700
CID 244135

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate?
The IUPAC name of (2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate (CID 24976673) is (2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate.
What is the SMILES notation for (2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate?
The canonical SMILES for (2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate is CC(=O)OCC1CN=C(c2ccccc2)O1.
What is the InChIKey of (2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate?
The InChIKey is GQDSKXZRBMERHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-9(14)15-8-11-7-13-12(16-11)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3.
What are the key properties of (2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate?
(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate has a molecular weight of 219.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl acetate is sourced from PubChem (CID 24976673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).