2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C21H24ClFN2O3 — CID 137491396

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(C3=NO[C@H](C4CCCC4)C3)(C1)C2
InChIInChI=1S/C21H24ClFN2O3/c22-15-6-5-14(7-16(15)23)27-9-19(26)24-21-10-20(11-21,12-21)18-8-17(28-25-18)13-3-1-2-4-13/h5-7,13,17H,1-4,8-12H2,(H,24,26)/t17-,20?,21?/m0/s1
InChIKeyHZBWPFIPQINSEP-RPCJCACASA-N
MW406.89 g/mol
LogP4.23
Rot. Bonds6

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 137491396) has the molecular formula C21H24ClFN2O3 and a molecular weight of 406.89 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID137491396
Molecular FormulaC21H24ClFN2O3
Molecular Weight406.89 g/mol
Exact Mass406.15
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(C3=NO[C@H](C4CCCC4)C3)(C1)C2
InChIInChI=1S/C21H24ClFN2O3/c22-15-6-5-14(7-16(15)23)27-9-19(26)24-21-10-20(11-21,12-21)18-8-17(28-25-18)13-3-1-2-4-13/h5-7,13,17H,1-4,8-12H2,(H,24,26)/t17-,20?,21?/m0/s1
InChIKeyHZBWPFIPQINSEP-RPCJCACASA-N
XLogP4.23
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]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-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide
CID 167267276
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(2R,4R)-6-chloro-4-methyl-3,4-dihydro-2H-chromen-2-yl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 155717353
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopentyl-1-methylimidazolidine-2-carboxamide
CID 145398755
tert-butyl-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 155285835
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]-3-fluorothiolane-2-carboxamide
CID 142586245
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3,5-difluorophenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159469496
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]-5-fluoropiperidine-2-carboxamide
CID 138626964
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(1,2,3,6-tetrahydropyridin-3-yl)acetamide
CID 138632171

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 137491396) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC12CC(C3=NO[C@H](C4CCCC4)C3)(C1)C2.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is HZBWPFIPQINSEP-RPCJCACASA-N. The full InChI is InChI=1S/C21H24ClFN2O3/c22-15-6-5-14(7-16(15)23)27-9-19(26)24-21-10-20(11-21,12-21)18-8-17(28-25-18)13-3-1-2-4-13/h5-7,13,17H,1-4,8-12H2,(H,24,26)/t17-,20?,21?/m0/s1.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 406.89 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 137491396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).