N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide

C17H14FN3O3 — CID 71865991

IUPACN-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)on1
InChIInChI=1S/C17H14FN3O3/c1-11-8-16(24-21-11)17(22)20-12-5-6-15(14(18)9-12)23-10-13-4-2-3-7-19-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyAIZQGFRFCOXPAT-UHFFFAOYSA-N
MW327.32 g/mol
LogP3.35
Rot. Bonds5

About N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 71865991) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID71865991
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC NameN-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)on1
InChIInChI=1S/C17H14FN3O3/c1-11-8-16(24-21-11)17(22)20-12-5-6-15(14(18)9-12)23-10-13-4-2-3-7-19-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyAIZQGFRFCOXPAT-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166253172
2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 168523388
4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119898314
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119898305
2-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609787
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119898304
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911371
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086116
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 71865991) is N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)on1.
What is the InChIKey of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is AIZQGFRFCOXPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-11-8-16(24-21-11)17(22)20-12-5-6-15(14(18)9-12)23-10-13-4-2-3-7-19-13/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71865991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).