N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide

C16H16F3N3O4 — CID 78151025

IUPACN-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2C(c3ccc(C(F)(F)F)nc3)CC(O)C2O)no1
InChIInChI=1S/C16H16F3N3O4/c1-7-4-10(22-26-7)15(25)21-13-9(5-11(23)14(13)24)8-2-3-12(20-6-8)16(17,18)19/h2-4,6,9,11,13-14,23-24H,5H2,1H3,(H,21,25)
InChIKeyUKSGGVXLHFKZAI-UHFFFAOYSA-N
MW371.32 g/mol
LogP1.40
Rot. Bonds3

About N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 78151025) has the molecular formula C16H16F3N3O4 and a molecular weight of 371.32 g/mol. Its IUPAC name is N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID78151025
Molecular FormulaC16H16F3N3O4
Molecular Weight371.32 g/mol
Exact Mass371.11
IUPAC NameN-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2C(c3ccc(C(F)(F)F)nc3)CC(O)C2O)no1
InChIInChI=1S/C16H16F3N3O4/c1-7-4-10(22-26-7)15(25)21-13-9(5-11(23)14(13)24)8-2-3-12(20-6-8)16(17,18)19/h2-4,6,9,11,13-14,23-24H,5H2,1H3,(H,21,25)
InChIKeyUKSGGVXLHFKZAI-UHFFFAOYSA-N
XLogP1.40
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide
CID 71693995
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95790526
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 71693957
N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide
CID 78150994
1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone
CID 156514517
5-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47075099
5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817778
N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide
CID 78150960
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
trans-(1R,2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161364
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97040038
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 78151025) is N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2C(c3ccc(C(F)(F)F)nc3)CC(O)C2O)no1.
What is the InChIKey of N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is UKSGGVXLHFKZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O4/c1-7-4-10(22-26-7)15(25)21-13-9(5-11(23)14(13)24)8-2-3-12(20-6-8)16(17,18)19/h2-4,6,9,11,13-14,23-24H,5H2,1H3,(H,21,25).
What are the key properties of N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 371.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 78151025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).