3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole

C20H20FN3O3S — CID 110215758

IUPAC3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole
SMILESO=S(=O)(c1cccnc1)N1CCCCCC1c1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H20FN3O3S/c21-16-9-7-15(8-10-16)18-13-20(27-23-18)19-6-2-1-3-12-24(19)28(25,26)17-5-4-11-22-14-17/h4-5,7-11,13-14,19H,1-3,6,12H2
InChIKeyMEJBFYCBJXHNFR-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.18
Rot. Bonds4

About 3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole

3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole (PubChem CID 110215758) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole
PubChem CID110215758
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole
SMILESO=S(=O)(c1cccnc1)N1CCCCCC1c1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H20FN3O3S/c21-16-9-7-15(8-10-16)18-13-20(27-23-18)19-6-2-1-3-12-24(19)28(25,26)17-5-4-11-22-14-17/h4-5,7-11,13-14,19H,1-3,6,12H2
InChIKeyMEJBFYCBJXHNFR-UHFFFAOYSA-N
XLogP4.18
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]azepan-1-yl]sulfonylthiolane 1,1-dioxide
CID 110215757
5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole
CID 110215753
5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole
CID 124968551
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95824618
3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
CID 110271118
2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole
CID 95828932
1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone
CID 75517518
3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
CID 71978636
5-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894119
3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine
CID 87052217
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38868649

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole (CID 110215758) is 3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole is O=S(=O)(c1cccnc1)N1CCCCCC1c1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole?
The InChIKey is MEJBFYCBJXHNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c21-16-9-7-15(8-10-16)18-13-20(27-23-18)19-6-2-1-3-12-24(19)28(25,26)17-5-4-11-22-14-17/h4-5,7-11,13-14,19H,1-3,6,12H2.
What are the key properties of 3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole?
3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole has a molecular weight of 401.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole is sourced from PubChem (CID 110215758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).