2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide

C19H25F2N3O4 — CID 121315724

IUPAC2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESCCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1cccnc1OCC(F)F
InChIInChI=1S/C19H25F2N3O4/c1-5-24(10-8-15-23-16(12(2)28-15)19(3,4)26)18(25)13-7-6-9-22-17(13)27-11-14(20)21/h6-7,9,14,26H,5,8,10-11H2,1-4H3
InChIKeyZPEWZAGBKKTSKC-UHFFFAOYSA-N
MW397.42 g/mol
LogP2.95
Rot. Bonds9

About 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide

2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 121315724) has the molecular formula C19H25F2N3O4 and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID121315724
Molecular FormulaC19H25F2N3O4
Molecular Weight397.42 g/mol
Exact Mass397.18
IUPAC Name2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESCCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1cccnc1OCC(F)F
InChIInChI=1S/C19H25F2N3O4/c1-5-24(10-8-15-23-16(12(2)28-15)19(3,4)26)18(25)13-7-6-9-22-17(13)27-11-14(20)21/h6-7,9,14,26H,5,8,10-11H2,1-4H3
InChIKeyZPEWZAGBKKTSKC-UHFFFAOYSA-N
XLogP2.95
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide (CID 121315724) is 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide is CCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1cccnc1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is ZPEWZAGBKKTSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O4/c1-5-24(10-8-15-23-16(12(2)28-15)19(3,4)26)18(25)13-7-6-9-22-17(13)27-11-14(20)21/h6-7,9,14,26H,5,8,10-11H2,1-4H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide?
2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 397.42 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 121315724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).