2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide

C16H10Cl2FN3O2 — CID 138465240

IUPAC2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2F)no1)c1cc(Cl)cnc1Cl
InChIInChI=1S/C16H10Cl2FN3O2/c17-9-5-12(15(18)20-7-9)16(23)21-8-10-6-14(22-24-10)11-3-1-2-4-13(11)19/h1-7H,8H2,(H,21,23)
InChIKeyFNEQZIKIJUYFHQ-UHFFFAOYSA-N
MW366.18 g/mol
LogP4.11
Rot. Bonds4

About 2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide

2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 138465240) has the molecular formula C16H10Cl2FN3O2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID138465240
Molecular FormulaC16H10Cl2FN3O2
Molecular Weight366.18 g/mol
Exact Mass365.01
IUPAC Name2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2F)no1)c1cc(Cl)cnc1Cl
InChIInChI=1S/C16H10Cl2FN3O2/c17-9-5-12(15(18)20-7-9)16(23)21-8-10-6-14(22-24-10)11-3-1-2-4-13(11)19/h1-7H,8H2,(H,21,23)
InChIKeyFNEQZIKIJUYFHQ-UHFFFAOYSA-N
XLogP4.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide
CID 131889703
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
CID 130347890
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate
CID 138465110
6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465076
2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465131
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 125179473
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide
CID 118773603
5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 49082320
2-fluoro-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 55083145
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(prop-2-enoylamino)methyl]benzamide
CID 166422279
1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one
CID 68723925
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide (CID 138465240) is 2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide is O=C(NCc1cc(-c2ccccc2F)no1)c1cc(Cl)cnc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is FNEQZIKIJUYFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O2/c17-9-5-12(15(18)20-7-9)16(23)21-8-10-6-14(22-24-10)11-3-1-2-4-13(11)19/h1-7H,8H2,(H,21,23).
What are the key properties of 2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 366.18 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 138465240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).