[1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate

C18H23NO5 — CID 22600070

IUPAC[1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate
SMILESCC(=O)OC(C(C)C)C12COC(c3ccccc3)N1C(=O)CC2O
InChIInChI=1S/C18H23NO5/c1-11(2)16(24-12(3)20)18-10-23-17(13-7-5-4-6-8-13)19(18)15(22)9-14(18)21/h4-8,11,14,16-17,21H,9-10H2,1-3H3
InChIKeyTWMGVYVAHPBDNK-UHFFFAOYSA-N
MW333.38 g/mol
LogP1.64
Rot. Bonds4

About [1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate

[1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate (PubChem CID 22600070) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is [1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate.

Molecular Properties

Compound Name[1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate
PubChem CID22600070
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name[1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate
SMILESCC(=O)OC(C(C)C)C12COC(c3ccccc3)N1C(=O)CC2O
InChIInChI=1S/C18H23NO5/c1-11(2)16(24-12(3)20)18-10-23-17(13-7-5-4-6-8-13)19(18)15(22)9-14(18)21/h4-8,11,14,16-17,21H,9-10H2,1-3H3
InChIKeyTWMGVYVAHPBDNK-UHFFFAOYSA-N
XLogP1.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
(3R,7aS)-3-tert-butyl-7a-[hydroxy(phenyl)methyl]-6,7-dihydro-3H-pyrrolo[1,2-c][1,3]oxazole-1,5-dione
CID 44427034
tert-butyl (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 122223738
tert-butyl (4S)-4-[(1R,2S)-2-fluoro-1-hydroxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 135062076
(3R,6R,7aS)-6-hydroxy-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 15424204
ethyl (3R,7aS)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-6-carboxylate
CID 395158
2-methylpropyl (3R,6S,7R,7aS)-7-(4-fluorophenyl)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-6-carboxylate
CID 11280948
tert-butyl (4R,5R)-4-[(1R,2S)-2-fluoro-1-hydroxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 122223735
tert-butyl (4S,5S)-4-[(1R,2S)-2-fluoro-1-hydroxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 122223736
6-fluoro-1-methyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 164536254
Methyl 7-(benzoyloxy)-2-hydroxy-3-oxohexahydro-1H-pyrrolizine-1-carboxylate
CID 496831
Anvhfuzpeonrsh-jfgnbeqysa-
CID 10998513

Frequently Asked Questions

What is the IUPAC name of [1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate?
The IUPAC name of [1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate (CID 22600070) is [1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate.
What is the SMILES notation for [1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate?
The canonical SMILES for [1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate is CC(=O)OC(C(C)C)C12COC(c3ccccc3)N1C(=O)CC2O.
What is the InChIKey of [1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate?
The InChIKey is TWMGVYVAHPBDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-11(2)16(24-12(3)20)18-10-23-17(13-7-5-4-6-8-13)19(18)15(22)9-14(18)21/h4-8,11,14,16-17,21H,9-10H2,1-3H3.
What are the key properties of [1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate?
[1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate has a molecular weight of 333.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-hydroxy-5-oxo-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-7a-yl)-2-methylpropyl] acetate is sourced from PubChem (CID 22600070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).