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

C18H16FN3O3 — CID 68558621

IUPACN-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc(C)ccn2)c2ccon2)c(F)c1
InChIInChI=1S/C18H16FN3O3/c1-11-5-7-20-16(9-11)18(23)21-17(15-6-8-25-22-15)13-4-3-12(24-2)10-14(13)19/h3-10,17H,1-2H3,(H,21,23)
InChIKeySIVSNFPRDNJMFC-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.05
Rot. Bonds5

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

N-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide (PubChem CID 68558621) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide
PubChem CID68558621
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc(C)ccn2)c2ccon2)c(F)c1
InChIInChI=1S/C18H16FN3O3/c1-11-5-7-20-16(9-11)18(23)21-17(15-6-8-25-22-15)13-4-3-12(24-2)10-14(13)19/h3-10,17H,1-2H3,(H,21,23)
InChIKeySIVSNFPRDNJMFC-UHFFFAOYSA-N
XLogP3.05
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide (CID 68558621) is N-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide is COc1ccc(C(NC(=O)c2cc(C)ccn2)c2ccon2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide?
The InChIKey is SIVSNFPRDNJMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11-5-7-20-16(9-11)18(23)21-17(15-6-8-25-22-15)13-4-3-12(24-2)10-14(13)19/h3-10,17H,1-2H3,(H,21,23).
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide?
N-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)-(1,2-oxazol-3-yl)methyl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 68558621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).