N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide

C23H23ClFN3O4 — CID 158229030

IUPACN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cnc(C4=CCCCC4)o3)(C1)C2
InChIInChI=1S/C23H23ClFN3O4/c24-16-7-6-15(8-17(16)25)31-10-19(29)27-22-11-23(12-22,13-22)28-20(30)18-9-26-21(32-18)14-4-2-1-3-5-14/h4,6-9H,1-3,5,10-13H2,(H,27,29)(H,28,30)
InChIKeyOSXYARMUWGZHQS-UHFFFAOYSA-N
MW459.91 g/mol
LogP4.02
Rot. Bonds7

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide (PubChem CID 158229030) has the molecular formula C23H23ClFN3O4 and a molecular weight of 459.91 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide
PubChem CID158229030
Molecular FormulaC23H23ClFN3O4
Molecular Weight459.91 g/mol
Exact Mass459.14
IUPAC NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cnc(C4=CCCCC4)o3)(C1)C2
InChIInChI=1S/C23H23ClFN3O4/c24-16-7-6-15(8-17(16)25)31-10-19(29)27-22-11-23(12-22,13-22)28-20(30)18-9-26-21(32-18)14-4-2-1-3-5-14/h4,6-9H,1-3,5,10-13H2,(H,27,29)(H,28,30)
InChIKeyOSXYARMUWGZHQS-UHFFFAOYSA-N
XLogP4.02
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.91
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-3-carboxamide
CID 142586187
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 162299196
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-nitrophenoxy)acetamide
CID 138610698
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3,4-dichlorophenyl)-2-oxoethyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610373
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 162282239
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(1-methylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610679
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 155264573
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-[2-(2-hydroxyethoxy)phenoxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 142585579
tert-butyl-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 155285835
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(2,5-dimethylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610575
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157137589

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide (CID 158229030) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide is O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cnc(C4=CCCCC4)o3)(C1)C2.
What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is OSXYARMUWGZHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O4/c24-16-7-6-15(8-17(16)25)31-10-19(29)27-22-11-23(12-22,13-22)28-20(30)18-9-26-21(32-18)14-4-2-1-3-5-14/h4,6-9H,1-3,5,10-13H2,(H,27,29)(H,28,30).
What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide?
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 459.91 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 158229030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).