N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide

C16H15F3N2O4 — CID 78150994

IUPACN-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1C(c2ccc(C(F)(F)F)cc2)CC(O)C1O)c1ccno1
InChIInChI=1S/C16H15F3N2O4/c17-16(18,19)9-3-1-8(2-4-9)10-7-11(22)14(23)13(10)21-15(24)12-5-6-20-25-12/h1-6,10-11,13-14,22-23H,7H2,(H,21,24)
InChIKeyXHKQJSAACVVAIB-UHFFFAOYSA-N
MW356.30 g/mol
LogP1.70
Rot. Bonds3

About N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide

N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide (PubChem CID 78150994) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide
PubChem CID78150994
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC NameN-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1C(c2ccc(C(F)(F)F)cc2)CC(O)C1O)c1ccno1
InChIInChI=1S/C16H15F3N2O4/c17-16(18,19)9-3-1-8(2-4-9)10-7-11(22)14(23)13(10)21-15(24)12-5-6-20-25-12/h1-6,10-11,13-14,22-23H,7H2,(H,21,24)
InChIKeyXHKQJSAACVVAIB-UHFFFAOYSA-N
XLogP1.70
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide (CID 78150994) is N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide is O=C(NC1C(c2ccc(C(F)(F)F)cc2)CC(O)C1O)c1ccno1.
What is the InChIKey of N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide?
The InChIKey is XHKQJSAACVVAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c17-16(18,19)9-3-1-8(2-4-9)10-7-11(22)14(23)13(10)21-15(24)12-5-6-20-25-12/h1-6,10-11,13-14,22-23H,7H2,(H,21,24).
What are the key properties of N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide?
N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide has a molecular weight of 356.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 78150994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).