6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide

C22H24F2N4O4 — CID 134604592

IUPAC6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide
SMILESCCC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(C)nc3)noc2C(F)F)nc1
InChIInChI=1S/C22H24F2N4O4/c1-3-4-16(11-29)27-22(30)15-7-8-18(26-10-15)31-12-17-19(28-32-20(17)21(23)24)14-6-5-13(2)25-9-14/h5-10,16,21,29H,3-4,11-12H2,1-2H3,(H,27,30)/t16-/m0/s1
InChIKeyXFIUGUYHOJKJFG-INIZCTEOSA-N
MW446.45 g/mol
LogP3.85
Rot. Bonds10

About 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide

6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide (PubChem CID 134604592) has the molecular formula C22H24F2N4O4 and a molecular weight of 446.45 g/mol. Its IUPAC name is 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide
PubChem CID134604592
Molecular FormulaC22H24F2N4O4
Molecular Weight446.45 g/mol
Exact Mass446.18
IUPAC Name6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide
SMILESCCC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(C)nc3)noc2C(F)F)nc1
InChIInChI=1S/C22H24F2N4O4/c1-3-4-16(11-29)27-22(30)15-7-8-18(26-10-15)31-12-17-19(28-32-20(17)21(23)24)14-6-5-13(2)25-9-14/h5-10,16,21,29H,3-4,11-12H2,1-2H3,(H,27,30)/t16-/m0/s1
InChIKeyXFIUGUYHOJKJFG-INIZCTEOSA-N
XLogP3.85
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide (CID 134604592) is 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide is CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(C)nc3)noc2C(F)F)nc1.
What is the InChIKey of 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?
The InChIKey is XFIUGUYHOJKJFG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24F2N4O4/c1-3-4-16(11-29)27-22(30)15-7-8-18(26-10-15)31-12-17-19(28-32-20(17)21(23)24)14-6-5-13(2)25-9-14/h5-10,16,21,29H,3-4,11-12H2,1-2H3,(H,27,30)/t16-/m0/s1.
What are the key properties of 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?
6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134604592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).