3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide

C18H16FN3O4 — CID 146041001

IUPAC3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3ccncc3F)c(C)o2)cc1O
InChIInChI=1S/C18H16FN3O4/c1-10-14(9-21-17(24)12-5-6-20-8-13(12)19)22-18(26-10)11-3-4-16(25-2)15(23)7-11/h3-8,23H,9H2,1-2H3,(H,21,24)
InChIKeyBSIVUSKUKJDHPT-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.83
Rot. Bonds5

About 3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide

3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide (PubChem CID 146041001) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide
PubChem CID146041001
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3ccncc3F)c(C)o2)cc1O
InChIInChI=1S/C18H16FN3O4/c1-10-14(9-21-17(24)12-5-6-20-8-13(12)19)22-18(26-10)11-3-4-16(25-2)15(23)7-11/h3-8,23H,9H2,1-2H3,(H,21,24)
InChIKeyBSIVUSKUKJDHPT-UHFFFAOYSA-N
XLogP2.83
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 118753949
2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 122175472
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 75373199
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
1-(3,4-dimethylphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 20955588
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 110641133
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976284
N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699
2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide (CID 146041001) is 3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide is COc1ccc(-c2nc(CNC(=O)c3ccncc3F)c(C)o2)cc1O.
What is the InChIKey of 3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide?
The InChIKey is BSIVUSKUKJDHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-10-14(9-21-17(24)12-5-6-20-8-13(12)19)22-18(26-10)11-3-4-16(25-2)15(23)7-11/h3-8,23H,9H2,1-2H3,(H,21,24).
What are the key properties of 3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide?
3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-(3-hydroxy-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 146041001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).