2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol

C14H21F3N2O2 — CID 138032774

IUPAC2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(CN2CCC(C(C)(O)C(F)(F)F)CC2)c(C)o1
InChIInChI=1S/C14H21F3N2O2/c1-9-12(18-10(2)21-9)8-19-6-4-11(5-7-19)13(3,20)14(15,16)17/h11,20H,4-8H2,1-3H3
InChIKeyXYFYAFBTIWBLLE-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.82
Rot. Bonds3

About 2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol

2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138032774) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID138032774
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(CN2CCC(C(C)(O)C(F)(F)F)CC2)c(C)o1
InChIInChI=1S/C14H21F3N2O2/c1-9-12(18-10(2)21-9)8-19-6-4-11(5-7-19)13(3,20)14(15,16)17/h11,20H,4-8H2,1-3H3
InChIKeyXYFYAFBTIWBLLE-UHFFFAOYSA-N
XLogP2.82
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol (CID 138032774) is 2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol is Cc1nc(CN2CCC(C(C)(O)C(F)(F)F)CC2)c(C)o1.
What is the InChIKey of 2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is XYFYAFBTIWBLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-9-12(18-10(2)21-9)8-19-6-4-11(5-7-19)13(3,20)14(15,16)17/h11,20H,4-8H2,1-3H3.
What are the key properties of 2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 306.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138032774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).