3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H14FN3O2 — CID 3245207

IUPAC3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C16H14FN3O2/c17-13-5-3-12(4-6-13)14-8-15(22-20-14)16(21)19-10-11-2-1-7-18-9-11/h1-7,9,15H,8,10H2,(H,19,21)
InChIKeySSWSESGQGFAMKX-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.03
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3245207) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3245207
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C16H14FN3O2/c17-13-5-3-12(4-6-13)14-8-15(22-20-14)16(21)19-10-11-2-1-7-18-9-11/h1-7,9,15H,8,10H2,(H,19,21)
InChIKeySSWSESGQGFAMKX-UHFFFAOYSA-N
XLogP2.03
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-N-(3-pyridinylmethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2962230
3-(2-hydroxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962267
N-(2-fluorophenyl)-2-{[3-(3-pyridinyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-1-hydrazinecarboxamide
CID 3799825
4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 836347
N-(4-hydroxycyclohexyl)-6-pyridin-4-ylhexanamide
CID 154665762
N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide
CID 154665764
(R)-N-(1-hydroxy-3-phenylpropan-2-yl)-2-(pyridin-4-yl)acetamide
CID 24747794
3-(2-chlorophenyl)-N-(3-pyridinylmethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2974813
3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158089
N-ethyl-2-{[3-(3-pyridinyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-1-hydrazinecarboxamide
CID 4256066
(S)-N-(1-hydroxy-3-phenylpropan-2-yl)-2-(pyridin-4-yl)acetamide
CID 24747793
3-(3,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962202

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3245207) is 3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1cccnc1)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is SSWSESGQGFAMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-13-5-3-12(4-6-13)14-8-15(22-20-14)16(21)19-10-11-2-1-7-18-9-11/h1-7,9,15H,8,10H2,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3245207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).