[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol

C19H24F3N3O3S — CID 134173876

IUPAC[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol
SMILESCc1c(-c2ccc(C(O)N3CCCC(N4CCOCC4)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C19H24F3N3O3S/c1-12-16(23-28-17(12)19(20,21)22)14-4-5-15(29-14)18(26)25-6-2-3-13(11-25)24-7-9-27-10-8-24/h4-5,13,18,26H,2-3,6-11H2,1H3
InChIKeyRPVONDXJDUBONO-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.52
Rot. Bonds4

About [5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol

[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol (PubChem CID 134173876) has the molecular formula C19H24F3N3O3S and a molecular weight of 431.48 g/mol. Its IUPAC name is [5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol.

Molecular Properties

Compound Name[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol
PubChem CID134173876
Molecular FormulaC19H24F3N3O3S
Molecular Weight431.48 g/mol
Exact Mass431.15
IUPAC Name[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol
SMILESCc1c(-c2ccc(C(O)N3CCCC(N4CCOCC4)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C19H24F3N3O3S/c1-12-16(23-28-17(12)19(20,21)22)14-4-5-15(29-14)18(26)25-6-2-3-13(11-25)24-7-9-27-10-8-24/h4-5,13,18,26H,2-3,6-11H2,1H3
InChIKeyRPVONDXJDUBONO-UHFFFAOYSA-N
XLogP3.52
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol?
The IUPAC name of [5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol (CID 134173876) is [5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol.
What is the SMILES notation for [5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol?
The canonical SMILES for [5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol is Cc1c(-c2ccc(C(O)N3CCCC(N4CCOCC4)C3)s2)noc1C(F)(F)F.
What is the InChIKey of [5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol?
The InChIKey is RPVONDXJDUBONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O3S/c1-12-16(23-28-17(12)19(20,21)22)14-4-5-15(29-14)18(26)25-6-2-3-13(11-25)24-7-9-27-10-8-24/h4-5,13,18,26H,2-3,6-11H2,1H3.
What are the key properties of [5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol?
[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol has a molecular weight of 431.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-morpholin-4-ylpiperidin-1-yl)methanol is sourced from PubChem (CID 134173876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).