N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide

C18H22FN3O4S — CID 75390496

IUPACN-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C18H22FN3O4S/c1-2-16-17(21-12-26-16)18(23)20-9-4-10-22(14-7-8-14)27(24,25)15-6-3-5-13(19)11-15/h3,5-6,11-12,14H,2,4,7-10H2,1H3,(H,20,23)
InChIKeyHMDARVKGHWWTAM-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.35
Rot. Bonds9

About N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide

N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 75390496) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID75390496
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC NameN-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C18H22FN3O4S/c1-2-16-17(21-12-26-16)18(23)20-9-4-10-22(14-7-8-14)27(24,25)15-6-3-5-13(19)11-15/h3,5-6,11-12,14H,2,4,7-10H2,1H3,(H,20,23)
InChIKeyHMDARVKGHWWTAM-UHFFFAOYSA-N
XLogP2.35
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide (CID 75390496) is N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is HMDARVKGHWWTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-2-16-17(21-12-26-16)18(23)20-9-4-10-22(14-7-8-14)27(24,25)15-6-3-5-13(19)11-15/h3,5-6,11-12,14H,2,4,7-10H2,1H3,(H,20,23).
What are the key properties of N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide?
N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75390496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).