5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole

C20H23FN4O3S — CID 56923316

IUPAC5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole
SMILESCCn1cc(S(=O)(=O)N2CCCCCC2c2cc(-c3ccc(F)cc3)no2)cn1
InChIInChI=1S/C20H23FN4O3S/c1-2-24-14-17(13-22-24)29(26,27)25-11-5-3-4-6-19(25)20-12-18(23-28-20)15-7-9-16(21)10-8-15/h7-10,12-14,19H,2-6,11H2,1H3
InChIKeyFQWGYWZCOLJZHZ-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.00
Rot. Bonds5

About 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole

5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole (PubChem CID 56923316) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole
PubChem CID56923316
Molecular FormulaC20H23FN4O3S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC Name5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole
SMILESCCn1cc(S(=O)(=O)N2CCCCCC2c2cc(-c3ccc(F)cc3)no2)cn1
InChIInChI=1S/C20H23FN4O3S/c1-2-24-14-17(13-22-24)29(26,27)25-11-5-3-4-6-19(25)20-12-18(23-28-20)15-7-9-16(21)10-8-15/h7-10,12-14,19H,2-6,11H2,1H3
InChIKeyFQWGYWZCOLJZHZ-UHFFFAOYSA-N
XLogP4.00
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53622850
2-(4-methylpyrazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 53624511
5-[1-(1-Ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole
CID 110215743
5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
CID 2738186
3-[1-(1-Ethyl-5-methylpyrazol-4-yl)sulfonylazepan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole
CID 46955584
4-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,5-dihydro-2H-1lambda6,4-benzothiazepine 1,1-dioxide
CID 126780317
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(4-fluorobenzyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 19916034
3-[2-[1-Methyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrazol-4-yl]ethynyl]benzenesulfonamide
CID 56642742
N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 67198005
N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 67198630
N-ethyl-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 67200926
4-[2-[1-Methyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrazol-4-yl]ethynyl]benzenesulfonamide
CID 89558726

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole?
The IUPAC name of 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole (CID 56923316) is 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole is CCn1cc(S(=O)(=O)N2CCCCCC2c2cc(-c3ccc(F)cc3)no2)cn1.
What is the InChIKey of 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole?
The InChIKey is FQWGYWZCOLJZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c1-2-24-14-17(13-22-24)29(26,27)25-11-5-3-4-6-19(25)20-12-18(23-28-20)15-7-9-16(21)10-8-15/h7-10,12-14,19H,2-6,11H2,1H3.
What are the key properties of 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole?
5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole has a molecular weight of 418.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 56923316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).