(5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione

C19H23NO4 — CID 122383311

IUPAC(5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione
SMILESCC[C@H]1c2oc(=O)n(-c3ccc(OC)cc3)c2C[C@H](C)C(=O)[C@@H]1C
InChIInChI=1S/C19H23NO4/c1-5-15-12(3)17(21)11(2)10-16-18(15)24-19(22)20(16)13-6-8-14(23-4)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3/t11-,12+,15+/m0/s1
InChIKeyFQXPHWISPZBQFD-YWPYICTPSA-N
MW329.40 g/mol
LogP3.33
Rot. Bonds3

About (5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione

(5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione (PubChem CID 122383311) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione.

Molecular Properties

Compound Name(5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione
PubChem CID122383311
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione
SMILESCC[C@H]1c2oc(=O)n(-c3ccc(OC)cc3)c2C[C@H](C)C(=O)[C@@H]1C
InChIInChI=1S/C19H23NO4/c1-5-15-12(3)17(21)11(2)10-16-18(15)24-19(22)20(16)13-6-8-14(23-4)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3/t11-,12+,15+/m0/s1
InChIKeyFQXPHWISPZBQFD-YWPYICTPSA-N
XLogP3.33
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione?
The IUPAC name of (5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione (CID 122383311) is (5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione.
What is the SMILES notation for (5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione?
The canonical SMILES for (5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione is CC[C@H]1c2oc(=O)n(-c3ccc(OC)cc3)c2C[C@H](C)C(=O)[C@@H]1C.
What is the InChIKey of (5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione?
The InChIKey is FQXPHWISPZBQFD-YWPYICTPSA-N. The full InChI is InChI=1S/C19H23NO4/c1-5-15-12(3)17(21)11(2)10-16-18(15)24-19(22)20(16)13-6-8-14(23-4)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3/t11-,12+,15+/m0/s1.
What are the key properties of (5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione?
(5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione has a molecular weight of 329.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R,8R)-8-ethyl-3-(4-methoxyphenyl)-5,7-dimethyl-4,5,7,8-tetrahydrocyclohepta[d][1,3]oxazole-2,6-dione is sourced from PubChem (CID 122383311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).