5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one

C21H23NO4 — CID 10132757

IUPAC5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one
SMILESCCC1=CCC2N(C(C)c3cccc4ccccc34)C(=O)OC2(OC)O1
InChIInChI=1S/C21H23NO4/c1-4-16-12-13-19-21(24-3,25-16)26-20(23)22(19)14(2)17-11-7-9-15-8-5-6-10-18(15)17/h5-12,14,19H,4,13H2,1-3H3
InChIKeyBZCWEEGXAOEODT-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.74
Rot. Bonds4

About 5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one

5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one (PubChem CID 10132757) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one
PubChem CID10132757
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one
SMILESCCC1=CCC2N(C(C)c3cccc4ccccc34)C(=O)OC2(OC)O1
InChIInChI=1S/C21H23NO4/c1-4-16-12-13-19-21(24-3,25-16)26-20(23)22(19)14(2)17-11-7-9-15-8-5-6-10-18(15)17/h5-12,14,19H,4,13H2,1-3H3
InChIKeyBZCWEEGXAOEODT-UHFFFAOYSA-N
XLogP4.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one?
The IUPAC name of 5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one (CID 10132757) is 5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one.
What is the SMILES notation for 5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one?
The canonical SMILES for 5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one is CCC1=CCC2N(C(C)c3cccc4ccccc34)C(=O)OC2(OC)O1.
What is the InChIKey of 5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one?
The InChIKey is BZCWEEGXAOEODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-4-16-12-13-19-21(24-3,25-16)26-20(23)22(19)14(2)17-11-7-9-15-8-5-6-10-18(15)17/h5-12,14,19H,4,13H2,1-3H3.
What are the key properties of 5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one?
5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one has a molecular weight of 353.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one is sourced from PubChem (CID 10132757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).