[3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate

C18H26N2O4 — CID 5151107

IUPAC[3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate
SMILESCC(C)C1OCC2(COC(=O)c3cccnc3)COC(C(C)C)N12
InChIInChI=1S/C18H26N2O4/c1-12(2)15-20-16(13(3)4)23-10-18(20,9-22-15)11-24-17(21)14-6-5-7-19-8-14/h5-8,12-13,15-16H,9-11H2,1-4H3
InChIKeyAEOIGWDODYQDHP-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.30
Rot. Bonds5

About [3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate

[3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate (PubChem CID 5151107) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is [3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name[3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate
PubChem CID5151107
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name[3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate
SMILESCC(C)C1OCC2(COC(=O)c3cccnc3)COC(C(C)C)N12
InChIInChI=1S/C18H26N2O4/c1-12(2)15-20-16(13(3)4)23-10-18(20,9-22-15)11-24-17(21)14-6-5-7-19-8-14/h5-8,12-13,15-16H,9-11H2,1-4H3
InChIKeyAEOIGWDODYQDHP-UHFFFAOYSA-N
XLogP2.30
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate with MolForge

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Related Compounds

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ethyl pyridine-3-carboxylate;dihydrochloride
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2-oxopropyl pyridine-3-carboxylate
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CID 124921581
(111C)methyl pyridine-3-carboxylate
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CID 54542225
pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury
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Frequently Asked Questions

What is the IUPAC name of [3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate?
The IUPAC name of [3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate (CID 5151107) is [3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate.
What is the SMILES notation for [3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate?
The canonical SMILES for [3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate is CC(C)C1OCC2(COC(=O)c3cccnc3)COC(C(C)C)N12.
What is the InChIKey of [3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate?
The InChIKey is AEOIGWDODYQDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)15-20-16(13(3)4)23-10-18(20,9-22-15)11-24-17(21)14-6-5-7-19-8-14/h5-8,12-13,15-16H,9-11H2,1-4H3.
What are the key properties of [3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate?
[3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl pyridine-3-carboxylate is sourced from PubChem (CID 5151107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).