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

C22H16FN3O3 — CID 112838851

IUPACN-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cc(-c2ccncc2)on1
InChIInChI=1S/C22H16FN3O3/c23-17-3-7-19(8-4-17)28-18-5-1-15(2-6-18)14-25-22(27)20-13-21(29-26-20)16-9-11-24-12-10-16/h1-13H,14H2,(H,25,27)
InChIKeyISDQNWXZKLPOGL-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.60
Rot. Bonds6

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

N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 112838851) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID112838851
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cc(-c2ccncc2)on1
InChIInChI=1S/C22H16FN3O3/c23-17-3-7-19(8-4-17)28-18-5-1-15(2-6-18)14-25-22(27)20-13-21(29-26-20)16-9-11-24-12-10-16/h1-13H,14H2,(H,25,27)
InChIKeyISDQNWXZKLPOGL-UHFFFAOYSA-N
XLogP4.60
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-phenoxyphenyl)methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838913
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 166187049
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 135573171
N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 93139934
5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 131955030
N-[[4-(3-chloro-2-methylphenoxy)phenyl]methyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 163347457
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19290726
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55893140
N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119630359

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (CID 112838851) is N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cc(-c2ccncc2)on1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ISDQNWXZKLPOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c23-17-3-7-19(8-4-17)28-18-5-1-15(2-6-18)14-25-22(27)20-13-21(29-26-20)16-9-11-24-12-10-16/h1-13H,14H2,(H,25,27).
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 112838851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).