[5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol

C23H26F3N3O3 — CID 92588740

IUPAC[5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol
SMILESCCc1cc(C(F)(F)F)c2c(C3CCN(Cc4ccc(OC)c(CO)c4)CC3)noc2n1
InChIInChI=1S/C23H26F3N3O3/c1-3-17-11-18(23(24,25)26)20-21(28-32-22(20)27-17)15-6-8-29(9-7-15)12-14-4-5-19(31-2)16(10-14)13-30/h4-5,10-11,15,30H,3,6-9,12-13H2,1-2H3
InChIKeyDFFPKZNFAQXKNW-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.68
Rot. Bonds6

About [5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol

[5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol (PubChem CID 92588740) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is [5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol
PubChem CID92588740
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC Name[5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol
SMILESCCc1cc(C(F)(F)F)c2c(C3CCN(Cc4ccc(OC)c(CO)c4)CC3)noc2n1
InChIInChI=1S/C23H26F3N3O3/c1-3-17-11-18(23(24,25)26)20-21(28-32-22(20)27-17)15-6-8-29(9-7-15)12-14-4-5-19(31-2)16(10-14)13-30/h4-5,10-11,15,30H,3,6-9,12-13H2,1-2H3
InChIKeyDFFPKZNFAQXKNW-UHFFFAOYSA-N
XLogP4.68
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol?
The IUPAC name of [5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol (CID 92588740) is [5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol?
The canonical SMILES for [5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol is CCc1cc(C(F)(F)F)c2c(C3CCN(Cc4ccc(OC)c(CO)c4)CC3)noc2n1.
What is the InChIKey of [5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol?
The InChIKey is DFFPKZNFAQXKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3/c1-3-17-11-18(23(24,25)26)20-21(28-32-22(20)27-17)15-6-8-29(9-7-15)12-14-4-5-19(31-2)16(10-14)13-30/h4-5,10-11,15,30H,3,6-9,12-13H2,1-2H3.
What are the key properties of [5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol?
[5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol has a molecular weight of 449.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 92588740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).