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

C14H15NO2 — CID 20645029

IUPAC6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1=C(C)C2COC(c3ccccc3)N2C1=O
InChIInChI=1S/C14H15NO2/c1-9-10(2)13(16)15-12(9)8-17-14(15)11-6-4-3-5-7-11/h3-7,12,14H,8H2,1-2H3
InChIKeySBOOKODNLAVHOE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.26
Rot. Bonds1

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

6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 20645029) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID20645029
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1=C(C)C2COC(c3ccccc3)N2C1=O
InChIInChI=1S/C14H15NO2/c1-9-10(2)13(16)15-12(9)8-17-14(15)11-6-4-3-5-7-11/h3-7,12,14H,8H2,1-2H3
InChIKeySBOOKODNLAVHOE-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

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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
3-Methyl-2-(4-methylphenyl)-1,3-oxazolidine
CID 3051660
COX inhibitor, 8
CID 11021865
2-Phenyl-3-propan-2-yl-1,3-oxazolidine
CID 254611
2-(2-Phenyl-1,3-oxazolidin-3-yl)ethan-1-ol
CID 12648663

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 20645029) is 6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is CC1=C(C)C2COC(c3ccccc3)N2C1=O.
What is the InChIKey of 6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is SBOOKODNLAVHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-10(2)13(16)15-12(9)8-17-14(15)11-6-4-3-5-7-11/h3-7,12,14H,8H2,1-2H3.
What are the key properties of 6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 229.28 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 20645029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).