4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide

C20H14F6N4O2 — CID 177051508

IUPAC4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)oc1C(=O)N[C@H]1CCc2cnc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C20H14F6N4O2/c1-9-16(32-18(29-9)20(24,25)26)17(31)30-13-3-2-11-8-28-14(7-12(11)13)10-4-5-27-15(6-10)19(21,22)23/h4-8,13H,2-3H2,1H3,(H,30,31)/t13-/m0/s1
InChIKeyBLNZZPQACNUNHE-ZDUSSCGKSA-N
MW456.35 g/mol
LogP4.89
Rot. Bonds3

About 4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide

4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide (PubChem CID 177051508) has the molecular formula C20H14F6N4O2 and a molecular weight of 456.35 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide
PubChem CID177051508
Molecular FormulaC20H14F6N4O2
Molecular Weight456.35 g/mol
Exact Mass456.10
IUPAC Name4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)oc1C(=O)N[C@H]1CCc2cnc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C20H14F6N4O2/c1-9-16(32-18(29-9)20(24,25)26)17(31)30-13-3-2-11-8-28-14(7-12(11)13)10-4-5-27-15(6-10)19(21,22)23/h4-8,13H,2-3H2,1H3,(H,30,31)/t13-/m0/s1
InChIKeyBLNZZPQACNUNHE-ZDUSSCGKSA-N
XLogP4.89
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide (CID 177051508) is 4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide is Cc1nc(C(F)(F)F)oc1C(=O)N[C@H]1CCc2cnc(-c3ccnc(C(F)(F)F)c3)cc21.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is BLNZZPQACNUNHE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H14F6N4O2/c1-9-16(32-18(29-9)20(24,25)26)17(31)30-13-3-2-11-8-28-14(7-12(11)13)10-4-5-27-15(6-10)19(21,22)23/h4-8,13H,2-3H2,1H3,(H,30,31)/t13-/m0/s1.
What are the key properties of 4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide?
4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 456.35 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 177051508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).