N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen

C25H30F5N3O5 — CID 170720236

IUPACN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen
SMILESCOCC1(COC)CN(c2nc(C(=O)Nc3cc(F)c(OC4CC5CC5C4)c(F)c3)c(CC(F)(F)F)o2)C1.[H][H]
InChIInChI=1S/C25H28F5N3O5.H2/c1-35-11-24(12-36-2)9-33(10-24)23-32-20(19(38-23)8-25(28,29)30)22(34)31-15-6-17(26)21(18(27)7-15)37-16-4-13-3-14(13)5-16;/h6-7,13-14,16H,3-5,8-12H2,1-2H3,(H,31,34);1H
InChIKeyBCEFJLVIJFHGMK-UHFFFAOYSA-N
MW547.52 g/mol
LogP4.83
Rot. Bonds10

About N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen

N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen (PubChem CID 170720236) has the molecular formula C25H30F5N3O5 and a molecular weight of 547.52 g/mol. Its IUPAC name is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen
PubChem CID170720236
Molecular FormulaC25H30F5N3O5
Molecular Weight547.52 g/mol
Exact Mass547.21
IUPAC NameN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen
SMILESCOCC1(COC)CN(c2nc(C(=O)Nc3cc(F)c(OC4CC5CC5C4)c(F)c3)c(CC(F)(F)F)o2)C1.[H][H]
InChIInChI=1S/C25H28F5N3O5.H2/c1-35-11-24(12-36-2)9-33(10-24)23-32-20(19(38-23)8-25(28,29)30)22(34)31-15-6-17(26)21(18(27)7-15)37-16-4-13-3-14(13)5-16;/h6-7,13-14,16H,3-5,8-12H2,1-2H3,(H,31,34);1H
InChIKeyBCEFJLVIJFHGMK-UHFFFAOYSA-N
XLogP4.83
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen?
The IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen (CID 170720236) is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen?
The canonical SMILES for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen is COCC1(COC)CN(c2nc(C(=O)Nc3cc(F)c(OC4CC5CC5C4)c(F)c3)c(CC(F)(F)F)o2)C1.[H][H].
What is the InChIKey of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen?
The InChIKey is BCEFJLVIJFHGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F5N3O5.H2/c1-35-11-24(12-36-2)9-33(10-24)23-32-20(19(38-23)8-25(28,29)30)22(34)31-15-6-17(26)21(18(27)7-15)37-16-4-13-3-14(13)5-16;/h6-7,13-14,16H,3-5,8-12H2,1-2H3,(H,31,34);1H.
What are the key properties of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen?
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen has a molecular weight of 547.52 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3,3-bis(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 170720236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).