6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C13H13NO2 — CID 20645016

IUPAC6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1=CC2COC(c3ccccc3)N2C1=O
InChIInChI=1S/C13H13NO2/c1-9-7-11-8-16-13(14(11)12(9)15)10-5-3-2-4-6-10/h2-7,11,13H,8H2,1H3
InChIKeyGSNXMHICDAMROM-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.87
Rot. Bonds1

About 6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 20645016) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID20645016
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1=CC2COC(c3ccccc3)N2C1=O
InChIInChI=1S/C13H13NO2/c1-9-7-11-8-16-13(14(11)12(9)15)10-5-3-2-4-6-10/h2-7,11,13H,8H2,1H3
InChIKeyGSNXMHICDAMROM-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolo(2,1-b)oxazol-5-one, 2,3,5,6,7,7a-hexahydro-7a-phenyl-
CID 201901
3-Methyl-2-phenyl-1,3-oxazolidine
CID 98113
(3R,7aS)-3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(1H)-one
CID 395160
(3S-cis)-(+)-2,3-Dihydro-7a-methyl-3-phenylpyrrolo[2,1-b]oxazol-5(7aH)-one
CID 7157228
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
COX inhibitor, 5a
CID 12444099
2,3-Dimethyl-2-phenyl-1,3-oxazolidine
CID 388442
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
COX inhibitor, 8
CID 11021865
2-Phenyl-3-propan-2-yl-1,3-oxazolidine
CID 254611
1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone
CID 15306062
3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
CID 500387

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 20645016) is 6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is CC1=CC2COC(c3ccccc3)N2C1=O.
What is the InChIKey of 6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is GSNXMHICDAMROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-7-11-8-16-13(14(11)12(9)15)10-5-3-2-4-6-10/h2-7,11,13H,8H2,1H3.
What are the key properties of 6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 215.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 20645016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).