6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide

C20H19F2N3O3 — CID 42630164

IUPAC6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1onc(-c2cc(F)ccc2F)c1COc1ccc(C(=O)NC(C)C)cn1
InChIInChI=1S/C20H19F2N3O3/c1-11(2)24-20(26)13-4-7-18(23-9-13)27-10-16-12(3)28-25-19(16)15-8-14(21)5-6-17(15)22/h4-9,11H,10H2,1-3H3,(H,24,26)
InChIKeyTWWYTHKALZPAEZ-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.04
Rot. Bonds6

About 6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide

6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 42630164) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID42630164
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1onc(-c2cc(F)ccc2F)c1COc1ccc(C(=O)NC(C)C)cn1
InChIInChI=1S/C20H19F2N3O3/c1-11(2)24-20(26)13-4-7-18(23-9-13)27-10-16-12(3)28-25-19(16)15-8-14(21)5-6-17(15)22/h4-9,11H,10H2,1-3H3,(H,24,26)
InChIKeyTWWYTHKALZPAEZ-UHFFFAOYSA-N
XLogP4.04
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide (CID 42630164) is 6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide is Cc1onc(-c2cc(F)ccc2F)c1COc1ccc(C(=O)NC(C)C)cn1.
What is the InChIKey of 6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is TWWYTHKALZPAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-11(2)24-20(26)13-4-7-18(23-9-13)27-10-16-12(3)28-25-19(16)15-8-14(21)5-6-17(15)22/h4-9,11H,10H2,1-3H3,(H,24,26).
What are the key properties of 6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide?
6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 42630164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).