3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile

C19H14FN5O2 — CID 176989505

IUPAC3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile
SMILESN#CC1(F)CN(C(=O)c2coc(Cc3ccc(-c4ccccc4)nn3)n2)C1
InChIInChI=1S/C19H14FN5O2/c20-19(10-21)11-25(12-19)18(26)16-9-27-17(22-16)8-14-6-7-15(24-23-14)13-4-2-1-3-5-13/h1-7,9H,8,11-12H2
InChIKeyHZWOKXWMSGGQAD-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.41
Rot. Bonds4

About 3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile

3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile (PubChem CID 176989505) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile
PubChem CID176989505
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile
SMILESN#CC1(F)CN(C(=O)c2coc(Cc3ccc(-c4ccccc4)nn3)n2)C1
InChIInChI=1S/C19H14FN5O2/c20-19(10-21)11-25(12-19)18(26)16-9-27-17(22-16)8-14-6-7-15(24-23-14)13-4-2-1-3-5-13/h1-7,9H,8,11-12H2
InChIKeyHZWOKXWMSGGQAD-UHFFFAOYSA-N
XLogP2.41
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone;1H-pyrazole
CID 176989548
2-[[6-(2-fluorophenyl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 176989569
3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258590
[(2S,3S)-3-[[3-hydroxy-1-[2-[[6-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]methoxy]-2-methylazetidin-1-yl]-[2-[[6-(triazol-2-yl)pyridazin-3-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989319
[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135105379
2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 176989464
[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 176989292
azepan-1-yl-(6-phenylpyridazin-3-yl)methanone
CID 113200597
[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989280
[2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3854320
2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115084007
2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid
CID 72950601

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile?
The IUPAC name of 3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile (CID 176989505) is 3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile.
What is the SMILES notation for 3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile?
The canonical SMILES for 3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile is N#CC1(F)CN(C(=O)c2coc(Cc3ccc(-c4ccccc4)nn3)n2)C1.
What is the InChIKey of 3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile?
The InChIKey is HZWOKXWMSGGQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c20-19(10-21)11-25(12-19)18(26)16-9-27-17(22-16)8-14-6-7-15(24-23-14)13-4-2-1-3-5-13/h1-7,9H,8,11-12H2.
What are the key properties of 3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile?
3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile has a molecular weight of 363.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile is sourced from PubChem (CID 176989505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).