5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

C17H14FN3O3 — CID 57396563

IUPAC5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1
InChIInChI=1S/C17H14FN3O3/c1-23-12-2-3-13(14(18)8-12)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyGRTUMJJZJZNLTJ-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.81
Rot. Bonds5

About 5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 57396563) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID57396563
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1
InChIInChI=1S/C17H14FN3O3/c1-23-12-2-3-13(14(18)8-12)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyGRTUMJJZJZNLTJ-UHFFFAOYSA-N
XLogP2.81
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963569
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57394803
5-(3-carbamoylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57394802
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963676
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963592
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57401810
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide
CID 167821447
N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347301
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (CID 57396563) is 5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GRTUMJJZJZNLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-23-12-2-3-13(14(18)8-12)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57396563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).