methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide

C17H20F3N3O4 — CID 156881471

IUPACmethoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide
SMILESCOC.O=C(NC1CCNC1)c1ncc(-c2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C15H14F3N3O3.C2H6O/c16-15(17,18)24-11-3-1-2-9(6-11)12-8-20-14(23-12)13(22)21-10-4-5-19-7-10;1-3-2/h1-3,6,8,10,19H,4-5,7H2,(H,21,22);1-2H3
InChIKeyOCOJYOJIYUCJHS-UHFFFAOYSA-N
MW387.36 g/mol
LogP2.59
Rot. Bonds4

About methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide

methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 156881471) has the molecular formula C17H20F3N3O4 and a molecular weight of 387.36 g/mol. Its IUPAC name is methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Namemethoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide
PubChem CID156881471
Molecular FormulaC17H20F3N3O4
Molecular Weight387.36 g/mol
Exact Mass387.14
IUPAC Namemethoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide
SMILESCOC.O=C(NC1CCNC1)c1ncc(-c2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C15H14F3N3O3.C2H6O/c16-15(17,18)24-11-3-1-2-9(6-11)12-8-20-14(23-12)13(22)21-10-4-5-19-7-10;1-3-2/h1-3,6,8,10,19H,4-5,7H2,(H,21,22);1-2H3
InChIKeyOCOJYOJIYUCJHS-UHFFFAOYSA-N
XLogP2.59
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide (CID 156881471) is methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide is COC.O=C(NC1CCNC1)c1ncc(-c2cccc(OC(F)(F)F)c2)o1.
What is the InChIKey of methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is OCOJYOJIYUCJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3.C2H6O/c16-15(17,18)24-11-3-1-2-9(6-11)12-8-20-14(23-12)13(22)21-10-4-5-19-7-10;1-3-2/h1-3,6,8,10,19H,4-5,7H2,(H,21,22);1-2H3.
What are the key properties of methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 156881471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).