N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide

C23H32FN3O4S — CID 3238711

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCCN(C)C1CCCCC1
InChIInChI=1S/C23H32FN3O4S/c1-17-21(26-23(31-17)19-11-6-7-12-20(19)24)15-32(29,30)16-22(28)25-13-8-14-27(2)18-9-4-3-5-10-18/h6-7,11-12,18H,3-5,8-10,13-16H2,1-2H3,(H,25,28)
InChIKeyGPIDCJLWCBZGQE-UHFFFAOYSA-N
MW465.59 g/mol
LogP3.47
Rot. Bonds10

About N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide

N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide (PubChem CID 3238711) has the molecular formula C23H32FN3O4S and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
PubChem CID3238711
Molecular FormulaC23H32FN3O4S
Molecular Weight465.59 g/mol
Exact Mass465.21
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCCN(C)C1CCCCC1
InChIInChI=1S/C23H32FN3O4S/c1-17-21(26-23(31-17)19-11-6-7-12-20(19)24)15-32(29,30)16-22(28)25-13-8-14-27(2)18-9-4-3-5-10-18/h6-7,11-12,18H,3-5,8-10,13-16H2,1-2H3,(H,25,28)
InChIKeyGPIDCJLWCBZGQE-UHFFFAOYSA-N
XLogP3.47
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide 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

2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CID 6622273
N-cyclopropyl-2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]acetamide
CID 4174238
Ethyl 4-{[({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetyl]amino}piperidine-1-carboxylate
CID 3237206
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetamide
CID 3243297
2-[[2-(3-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfonyl]-N-tetralin-1-yl-acetamide
CID 9550784
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[(2-methoxyphenyl)methyl]acetamide
CID 16007888
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfonyl}-N-[2-(4-methylphenyl)ethyl]acetamide
CID 16008049
4-[({[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetyl]morpholine
CID 3235915
N-(3-isopropoxypropyl)-2-({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetamide
CID 3236024
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetamide
CID 3236439
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 3236486
2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)-N-(3-morpholin-4-ylpropyl)acetamide
CID 3236658

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide (CID 3238711) is N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide is Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCCN(C)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The InChIKey is GPIDCJLWCBZGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4S/c1-17-21(26-23(31-17)19-11-6-7-12-20(19)24)15-32(29,30)16-22(28)25-13-8-14-27(2)18-9-4-3-5-10-18/h6-7,11-12,18H,3-5,8-10,13-16H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide has a molecular weight of 465.59 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide is sourced from PubChem (CID 3238711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).