[4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol

C16H25N5O2 — CID 91834200

IUPAC[4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)c1cc(CN2CCC(c3nnc(CO)n3C)CC2)no1
InChIInChI=1S/C16H25N5O2/c1-11(2)14-8-13(19-23-14)9-21-6-4-12(5-7-21)16-18-17-15(10-22)20(16)3/h8,11-12,22H,4-7,9-10H2,1-3H3
InChIKeyBQYBWKLCWICZAX-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.80
Rot. Bonds5

About [4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol

[4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol (PubChem CID 91834200) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
PubChem CID91834200
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name[4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)c1cc(CN2CCC(c3nnc(CO)n3C)CC2)no1
InChIInChI=1S/C16H25N5O2/c1-11(2)14-8-13(19-23-14)9-21-6-4-12(5-7-21)16-18-17-15(10-22)20(16)3/h8,11-12,22H,4-7,9-10H2,1-3H3
InChIKeyBQYBWKLCWICZAX-UHFFFAOYSA-N
XLogP1.80
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol (CID 91834200) is [4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol is CC(C)c1cc(CN2CCC(c3nnc(CO)n3C)CC2)no1.
What is the InChIKey of [4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is BQYBWKLCWICZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(2)14-8-13(19-23-14)9-21-6-4-12(5-7-21)16-18-17-15(10-22)20(16)3/h8,11-12,22H,4-7,9-10H2,1-3H3.
What are the key properties of [4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 319.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 91834200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).