N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide

C25H22FN3O3 — CID 87459442

IUPACN-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(CCF)c2ccccc2)cn1
InChIInChI=1S/C25H22FN3O3/c1-18-22(24(28-32-18)19-8-4-2-5-9-19)17-31-23-13-12-20(16-27-23)25(30)29(15-14-26)21-10-6-3-7-11-21/h2-13,16H,14-15,17H2,1H3
InChIKeyZDKPKSDNBQOIBZ-UHFFFAOYSA-N
MW431.47 g/mol
LogP5.24
Rot. Bonds8

About N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide

N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide (PubChem CID 87459442) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide
PubChem CID87459442
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC NameN-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(CCF)c2ccccc2)cn1
InChIInChI=1S/C25H22FN3O3/c1-18-22(24(28-32-18)19-8-4-2-5-9-19)17-31-23-13-12-20(16-27-23)25(30)29(15-14-26)21-10-6-3-7-11-21/h2-13,16H,14-15,17H2,1H3
InChIKeyZDKPKSDNBQOIBZ-UHFFFAOYSA-N
XLogP5.24
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 42629807
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 42630170
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine
CID 158854945
1-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-3-methylbutan-1-one
CID 159461087
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 134588619
ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
N-ethyl-6-[[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 68938732
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
CID 42629653
N-cyclopropyl-6-[(5-methyl-3-pyridin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 42629333
methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate
CID 42630377
N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 17256808

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide (CID 87459442) is N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide is Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(CCF)c2ccccc2)cn1.
What is the InChIKey of N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide?
The InChIKey is ZDKPKSDNBQOIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-18-22(24(28-32-18)19-8-4-2-5-9-19)17-31-23-13-12-20(16-27-23)25(30)29(15-14-26)21-10-6-3-7-11-21/h2-13,16H,14-15,17H2,1H3.
What are the key properties of N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide?
N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 87459442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).