1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one

C14H12FN5O2 — CID 58128749

IUPAC1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one
SMILESO=C(CCCn1ncnn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H12FN5O2/c15-11-5-3-10(4-6-11)14-8-12(18-22-14)13(21)2-1-7-20-17-9-16-19-20/h3-6,8-9H,1-2,7H2
InChIKeyNUGAWGJELLRNCH-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.13
Rot. Bonds6

About 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one

1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one (PubChem CID 58128749) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one
PubChem CID58128749
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one
SMILESO=C(CCCn1ncnn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H12FN5O2/c15-11-5-3-10(4-6-11)14-8-12(18-22-14)13(21)2-1-7-20-17-9-16-19-20/h3-6,8-9H,1-2,7H2
InChIKeyNUGAWGJELLRNCH-UHFFFAOYSA-N
XLogP2.13
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-(4-Fluorophenyl)isoxazol-3-yl)ethanone
CID 22831982
5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 25166919
5-(3-Fluorophenyl)isoxazole-3-carbonyl azide
CID 57947846
1-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-4-(triazol-2-yl)butan-1-one
CID 58128737
1-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one
CID 58128753
1-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-4-(triazol-1-yl)butan-1-one
CID 58128770
1-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 58128775
1-[5-(2-Fluorophenyl)-1,2-oxazol-3-yl]ethanone
CID 115094350
7-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 146336458
7-[5-(2-Fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 146336525
3-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
CID 8598166
5-(4-Fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole
CID 8598247

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one (CID 58128749) is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one is O=C(CCCn1ncnn1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one?
The InChIKey is NUGAWGJELLRNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c15-11-5-3-10(4-6-11)14-8-12(18-22-14)13(21)2-1-7-20-17-9-16-19-20/h3-6,8-9H,1-2,7H2.
What are the key properties of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one?
1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one has a molecular weight of 301.28 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one is sourced from PubChem (CID 58128749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).