1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol

C23H24N6O2 — CID 147939544

IUPAC1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol
SMILESCC(C)n1cnnc1-c1cccc(-c2ncc(-c3cccc(N4CCC(O)C4)c3)o2)n1
InChIInChI=1S/C23H24N6O2/c1-15(2)29-14-25-27-22(29)19-7-4-8-20(26-19)23-24-12-21(31-23)16-5-3-6-17(11-16)28-10-9-18(30)13-28/h3-8,11-12,14-15,18,30H,9-10,13H2,1-2H3
InChIKeyILLPNSHXKZSGGX-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.81
Rot. Bonds5

About 1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol

1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol (PubChem CID 147939544) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol
PubChem CID147939544
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol
SMILESCC(C)n1cnnc1-c1cccc(-c2ncc(-c3cccc(N4CCC(O)C4)c3)o2)n1
InChIInChI=1S/C23H24N6O2/c1-15(2)29-14-25-27-22(29)19-7-4-8-20(26-19)23-24-12-21(31-23)16-5-3-6-17(11-16)28-10-9-18(30)13-28/h3-8,11-12,14-15,18,30H,9-10,13H2,1-2H3
InChIKeyILLPNSHXKZSGGX-UHFFFAOYSA-N
XLogP3.81
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol (CID 147939544) is 1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol is CC(C)n1cnnc1-c1cccc(-c2ncc(-c3cccc(N4CCC(O)C4)c3)o2)n1.
What is the InChIKey of 1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol?
The InChIKey is ILLPNSHXKZSGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15(2)29-14-25-27-22(29)19-7-4-8-20(26-19)23-24-12-21(31-23)16-5-3-6-17(11-16)28-10-9-18(30)13-28/h3-8,11-12,14-15,18,30H,9-10,13H2,1-2H3.
What are the key properties of 1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol?
1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol has a molecular weight of 416.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazol-5-yl]phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 147939544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).