ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol

C18H28F3NO4 — CID 177065044

IUPACethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol
SMILESCC.CO.COC1CC(CC(C)O)N=C(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C15H18F3NO3.C2H6.CH4O/c1-9(20)6-12-8-13(21-2)22-14(19-12)10-4-3-5-11(7-10)15(16,17)18;2*1-2/h3-5,7,9,12-13,20H,6,8H2,1-2H3;1-2H3;2H,1H3
InChIKeyJYGDNJFQOYMFJU-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.62
Rot. Bonds4

About ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol

ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol (PubChem CID 177065044) has the molecular formula C18H28F3NO4 and a molecular weight of 379.42 g/mol. Its IUPAC name is ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol.

Molecular Properties

Compound Nameethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol
PubChem CID177065044
Molecular FormulaC18H28F3NO4
Molecular Weight379.42 g/mol
Exact Mass379.20
IUPAC Nameethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol
SMILESCC.CO.COC1CC(CC(C)O)N=C(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C15H18F3NO3.C2H6.CH4O/c1-9(20)6-12-8-13(21-2)22-14(19-12)10-4-3-5-11(7-10)15(16,17)18;2*1-2/h3-5,7,9,12-13,20H,6,8H2,1-2H3;1-2H3;2H,1H3
InChIKeyJYGDNJFQOYMFJU-UHFFFAOYSA-N
XLogP3.62
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol?
The IUPAC name of ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol (CID 177065044) is ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol.
What is the SMILES notation for ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol?
The canonical SMILES for ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol is CC.CO.COC1CC(CC(C)O)N=C(c2cccc(C(F)(F)F)c2)O1.
What is the InChIKey of ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol?
The InChIKey is JYGDNJFQOYMFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3.C2H6.CH4O/c1-9(20)6-12-8-13(21-2)22-14(19-12)10-4-3-5-11(7-10)15(16,17)18;2*1-2/h3-5,7,9,12-13,20H,6,8H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol?
ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol has a molecular weight of 379.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;1-[6-methoxy-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-4-yl]propan-2-ol is sourced from PubChem (CID 177065044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).