N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H20FN3O4S — CID 108566886

IUPACN-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H20FN3O4S/c1-11-16(12(2)25-19-11)26(23,24)20-15-6-8-21(9-7-15)17(22)13-4-3-5-14(18)10-13/h3-5,10,15,20H,6-9H2,1-2H3
InChIKeyFFMCPZNUXVRIEA-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.01
Rot. Bonds4

About N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 108566886) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID108566886
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC NameN-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H20FN3O4S/c1-11-16(12(2)25-19-11)26(23,24)20-15-6-8-21(9-7-15)17(22)13-4-3-5-14(18)10-13/h3-5,10,15,20H,6-9H2,1-2H3
InChIKeyFFMCPZNUXVRIEA-UHFFFAOYSA-N
XLogP2.01
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide 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

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108565743
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108563474
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
3,5-dimethyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]-1,2-oxazole-4-sulfonamide
CID 108565222
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566045
(3-aminophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride
CID 119694725
2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108566898
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 108566886) is N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is FFMCPZNUXVRIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-11-16(12(2)25-19-11)26(23,24)20-15-6-8-21(9-7-15)17(22)13-4-3-5-14(18)10-13/h3-5,10,15,20H,6-9H2,1-2H3.
What are the key properties of N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 381.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 108566886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).