N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide

C20H21F2N3O4 — CID 163380440

IUPACN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1coc(COc2ccc3oc(C)c(C(=O)NC4CCNCC4(F)F)c3c2)n1
InChIInChI=1S/C20H21F2N3O4/c1-11-8-28-17(24-11)9-27-13-3-4-15-14(7-13)18(12(2)29-15)19(26)25-16-5-6-23-10-20(16,21)22/h3-4,7-8,16,23H,5-6,9-10H2,1-2H3,(H,25,26)
InChIKeyNOJILWBNAQEBII-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.34
Rot. Bonds5

About N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide

N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380440) has the molecular formula C20H21F2N3O4 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID163380440
Molecular FormulaC20H21F2N3O4
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1coc(COc2ccc3oc(C)c(C(=O)NC4CCNCC4(F)F)c3c2)n1
InChIInChI=1S/C20H21F2N3O4/c1-11-8-28-17(24-11)9-27-13-3-4-15-14(7-13)18(12(2)29-15)19(26)25-16-5-6-23-10-20(16,21)22/h3-4,7-8,16,23H,5-6,9-10H2,1-2H3,(H,25,26)
InChIKeyNOJILWBNAQEBII-UHFFFAOYSA-N
XLogP3.34
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163380440) is N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1coc(COc2ccc3oc(C)c(C(=O)NC4CCNCC4(F)F)c3c2)n1.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is NOJILWBNAQEBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O4/c1-11-8-28-17(24-11)9-27-13-3-4-15-14(7-13)18(12(2)29-15)19(26)25-16-5-6-23-10-20(16,21)22/h3-4,7-8,16,23H,5-6,9-10H2,1-2H3,(H,25,26).
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide?
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).