[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C19H21FN2O4 — CID 1455054

IUPAC[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)O[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4/c1-11-16(12(2)26-22-11)19(24)25-17(13-7-9-14(20)10-8-13)18(23)21-15-5-3-4-6-15/h7-10,15,17H,3-6H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyWBQVNWUNEUMQFI-QGZVFWFLSA-N
MW360.39 g/mol
LogP3.39
Rot. Bonds5

About [(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 1455054) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is [(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID1455054
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)O[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4/c1-11-16(12(2)26-22-11)19(24)25-17(13-7-9-14(20)10-8-13)18(23)21-15-5-3-4-6-15/h7-10,15,17H,3-6H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyWBQVNWUNEUMQFI-QGZVFWFLSA-N
XLogP3.39
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549693
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
CID 3210626
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 42903866
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548296
[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate
CID 3224124
N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 3231439
[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7547612
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] cyclobutanecarboxylate
CID 16588764
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 16599980
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550447
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 92513301
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 1455054) is [(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)O[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of [(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is WBQVNWUNEUMQFI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-11-16(12(2)26-22-11)19(24)25-17(13-7-9-14(20)10-8-13)18(23)21-15-5-3-4-6-15/h7-10,15,17H,3-6H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of [(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 360.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 1455054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).