4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid

C21H24F3N5O5 — CID 91457922

IUPAC4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(Nc1ccc(N2CCN(C(=O)O)CC2)nc1)c1oc(OC2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C21H24F3N5O5/c22-21(23,24)17-16(34-19(27-17)33-14-4-2-1-3-5-14)18(30)26-13-6-7-15(25-12-13)28-8-10-29(11-9-28)20(31)32/h6-7,12,14H,1-5,8-11H2,(H,26,30)(H,31,32)
InChIKeyHUYLGLQCTHTBOV-UHFFFAOYSA-N
MW483.45 g/mol
LogP3.85
Rot. Bonds5

About 4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid

4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 91457922) has the molecular formula C21H24F3N5O5 and a molecular weight of 483.45 g/mol. Its IUPAC name is 4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID91457922
Molecular FormulaC21H24F3N5O5
Molecular Weight483.45 g/mol
Exact Mass483.17
IUPAC Name4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(Nc1ccc(N2CCN(C(=O)O)CC2)nc1)c1oc(OC2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C21H24F3N5O5/c22-21(23,24)17-16(34-19(27-17)33-14-4-2-1-3-5-14)18(30)26-13-6-7-15(25-12-13)28-8-10-29(11-9-28)20(31)32/h6-7,12,14H,1-5,8-11H2,(H,26,30)(H,31,32)
InChIKeyHUYLGLQCTHTBOV-UHFFFAOYSA-N
XLogP3.85
TPSA121.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 67391968
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212342
propan-2-yl 4-[5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 67387021
N-[6-[4-(phenylcarbamoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67293581
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391114
2-phenyl-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212338
N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391714
2-hydroxy-3-oxo-3-[4-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]propanoic acid
CID 67408854
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpiperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212164
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212711
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide
CID 149376339
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212709

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid (CID 91457922) is 4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid is O=C(Nc1ccc(N2CCN(C(=O)O)CC2)nc1)c1oc(OC2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of 4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is HUYLGLQCTHTBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O5/c22-21(23,24)17-16(34-19(27-17)33-14-4-2-1-3-5-14)18(30)26-13-6-7-15(25-12-13)28-8-10-29(11-9-28)20(31)32/h6-7,12,14H,1-5,8-11H2,(H,26,30)(H,31,32).
What are the key properties of 4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 483.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 91457922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).