(4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate

C12H18N2O4 — CID 175785412

IUPAC(4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate
SMILESCOC1(C)CCOC(C)C1OC(=O)n1ccnc1
InChIInChI=1S/C12H18N2O4/c1-9-10(12(2,16-3)4-7-17-9)18-11(15)14-6-5-13-8-14/h5-6,8-10H,4,7H2,1-3H3
InChIKeyBZDYVSZJIYBTHG-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.45
Rot. Bonds2

About (4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate

(4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate (PubChem CID 175785412) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate.

Molecular Properties

Compound Name(4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate
PubChem CID175785412
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate
SMILESCOC1(C)CCOC(C)C1OC(=O)n1ccnc1
InChIInChI=1S/C12H18N2O4/c1-9-10(12(2,16-3)4-7-17-9)18-11(15)14-6-5-13-8-14/h5-6,8-10H,4,7H2,1-3H3
InChIKeyBZDYVSZJIYBTHG-UHFFFAOYSA-N
XLogP1.45
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate?
The IUPAC name of (4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate (CID 175785412) is (4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate.
What is the SMILES notation for (4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate?
The canonical SMILES for (4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate is COC1(C)CCOC(C)C1OC(=O)n1ccnc1.
What is the InChIKey of (4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate?
The InChIKey is BZDYVSZJIYBTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9-10(12(2,16-3)4-7-17-9)18-11(15)14-6-5-13-8-14/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of (4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate?
(4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,4-dimethyloxan-3-yl) imidazole-1-carboxylate is sourced from PubChem (CID 175785412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).