[(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate

C18H17ClF3N3O4 — CID 67121063

IUPAC[(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate
SMILESNCC(=O)O[C@H]1CC[C@@H](NC(=O)c2noc(-c3ccc(C(F)(F)F)cc3)c2Cl)C1
InChIInChI=1S/C18H17ClF3N3O4/c19-14-15(17(27)24-11-5-6-12(7-11)28-13(26)8-23)25-29-16(14)9-1-3-10(4-2-9)18(20,21)22/h1-4,11-12H,5-8,23H2,(H,24,27)/t11-,12+/m1/s1
InChIKeyJMWIEFNEHIEHNA-NEPJUHHUSA-N
MW431.80 g/mol
LogP3.17
Rot. Bonds5

About [(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate

[(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate (PubChem CID 67121063) has the molecular formula C18H17ClF3N3O4 and a molecular weight of 431.80 g/mol. Its IUPAC name is [(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate.

Molecular Properties

Compound Name[(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate
PubChem CID67121063
Molecular FormulaC18H17ClF3N3O4
Molecular Weight431.80 g/mol
Exact Mass431.09
IUPAC Name[(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate
SMILESNCC(=O)O[C@H]1CC[C@@H](NC(=O)c2noc(-c3ccc(C(F)(F)F)cc3)c2Cl)C1
InChIInChI=1S/C18H17ClF3N3O4/c19-14-15(17(27)24-11-5-6-12(7-11)28-13(26)8-23)25-29-16(14)9-1-3-10(4-2-9)18(20,21)22/h1-4,11-12H,5-8,23H2,(H,24,27)/t11-,12+/m1/s1
InChIKeyJMWIEFNEHIEHNA-NEPJUHHUSA-N
XLogP3.17
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.80
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate 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

4-chloro-N-[(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 67121108
4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 25182039
4-fluoro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 67121064
4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 67121077
[4-[[4-[[(2-methoxy-2-methylpropyl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclohexyl] 2,2,2-trifluoroacetate
CID 87152991
4-chloro-N-[(1R,3R)-3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 140563206
4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 67121088
N-cyclopentyl-4-formyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 86663337
N-(4-hydroxycyclohexyl)-4-[(propan-2-ylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 46865479
N-(4-hydroxycyclohexyl)-4-[(oxan-4-ylmethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87153011
N-cyclopentyl-4-[(2-methylpropylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 66793026
N-(3-hydroxycyclohexyl)-4-[(oxolan-3-ylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 77191414

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate?
The IUPAC name of [(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate (CID 67121063) is [(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate.
What is the SMILES notation for [(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate?
The canonical SMILES for [(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate is NCC(=O)O[C@H]1CC[C@@H](NC(=O)c2noc(-c3ccc(C(F)(F)F)cc3)c2Cl)C1.
What is the InChIKey of [(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate?
The InChIKey is JMWIEFNEHIEHNA-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H17ClF3N3O4/c19-14-15(17(27)24-11-5-6-12(7-11)28-13(26)8-23)25-29-16(14)9-1-3-10(4-2-9)18(20,21)22/h1-4,11-12H,5-8,23H2,(H,24,27)/t11-,12+/m1/s1.
What are the key properties of [(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate?
[(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate has a molecular weight of 431.80 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate is sourced from PubChem (CID 67121063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).