N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C23H17FN4O3 — CID 55893140

IUPACN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2cc(-c3cccnc3)on2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H17FN4O3/c24-18-8-6-16(7-9-18)22(29)27-19-5-1-3-15(11-19)13-26-23(30)20-12-21(31-28-20)17-4-2-10-25-14-17/h1-12,14H,13H2,(H,26,30)(H,27,29)
InChIKeyGFBFUVMSKVVXPZ-UHFFFAOYSA-N
MW416.41 g/mol
LogP4.06
Rot. Bonds6

About N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 55893140) has the molecular formula C23H17FN4O3 and a molecular weight of 416.41 g/mol. Its IUPAC name is N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID55893140
Molecular FormulaC23H17FN4O3
Molecular Weight416.41 g/mol
Exact Mass416.13
IUPAC NameN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2cc(-c3cccnc3)on2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H17FN4O3/c24-18-8-6-16(7-9-18)22(29)27-19-5-1-3-15(11-19)13-26-23(30)20-12-21(31-28-20)17-4-2-10-25-14-17/h1-12,14H,13H2,(H,26,30)(H,27,29)
InChIKeyGFBFUVMSKVVXPZ-UHFFFAOYSA-N
XLogP4.06
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 53051791
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 86956720
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
4-fluoro-N-(2-pyridin-3-ylpyrimidin-5-yl)benzamide
CID 137419125

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 55893140) is N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(CNC(=O)c2cc(-c3cccnc3)on2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is GFBFUVMSKVVXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3/c24-18-8-6-16(7-9-18)22(29)27-19-5-1-3-15(11-19)13-26-23(30)20-12-21(31-28-20)17-4-2-10-25-14-17/h1-12,14H,13H2,(H,26,30)(H,27,29).
What are the key properties of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55893140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).