5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

C15H10ClFN4O3 — CID 91818700

IUPAC5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H10ClFN4O3/c16-9-1-2-11(17)10(6-9)15(23)19-7-13-20-14(21-24-13)8-3-4-18-12(22)5-8/h1-6H,7H2,(H,18,22)(H,19,23)
InChIKeyXSHWZVLBLSSDDV-UHFFFAOYSA-N
MW348.72 g/mol
LogP2.15
Rot. Bonds4

About 5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 91818700) has the molecular formula C15H10ClFN4O3 and a molecular weight of 348.72 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID91818700
Molecular FormulaC15H10ClFN4O3
Molecular Weight348.72 g/mol
Exact Mass348.04
IUPAC Name5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H10ClFN4O3/c16-9-1-2-11(17)10(6-9)15(23)19-7-13-20-14(21-24-13)8-3-4-18-12(22)5-8/h1-6H,7H2,(H,18,22)(H,19,23)
InChIKeyXSHWZVLBLSSDDV-UHFFFAOYSA-N
XLogP2.15
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.72
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-ethyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
CID 91818673
(Z)-3-(2-fluorophenyl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
CID 91818722
2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91818678
8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide
CID 91818692
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
3-chloro-4-fluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666497
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91818686
(2S)-2-acetamido-4-methylsulfanyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 129416460
6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide
CID 16673322
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide
CID 8836688
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110310706

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 91818700) is 5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is XSHWZVLBLSSDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O3/c16-9-1-2-11(17)10(6-9)15(23)19-7-13-20-14(21-24-13)8-3-4-18-12(22)5-8/h1-6H,7H2,(H,18,22)(H,19,23).
What are the key properties of 5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 348.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 91818700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).