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

C16H12FN3O2 — CID 52986105

IUPACN-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H12FN3O2/c17-13-5-3-11(4-6-13)9-19-16(21)14-8-15(22-20-14)12-2-1-7-18-10-12/h1-8,10H,9H2,(H,19,21)
InChIKeyKPSSZEFXKSOQGG-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.81
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 52986105) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID52986105
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H12FN3O2/c17-13-5-3-11(4-6-13)9-19-16(21)14-8-15(22-20-14)12-2-1-7-18-10-12/h1-8,10H,9H2,(H,19,21)
InChIKeyKPSSZEFXKSOQGG-UHFFFAOYSA-N
XLogP2.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55893140
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838851
N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 135573171
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
N-[(2-nitrophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 87004911
N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 111445679
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19290726
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 136962336
5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 120810621
N-(2-chloro-3-pyridinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 17253103

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 52986105) is N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is KPSSZEFXKSOQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-13-5-3-11(4-6-13)9-19-16(21)14-8-15(22-20-14)12-2-1-7-18-10-12/h1-8,10H,9H2,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52986105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).