2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol

C28H31N3O3 — CID 24758737

IUPAC2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol
SMILESCC(C)C(C)(c1ccc(-c2cc(C(C)(C)O)no2)cc1)c1ccc(OCc2ccccn2)cn1
InChIInChI=1S/C28H31N3O3/c1-19(2)28(5,25-14-13-23(17-30-25)33-18-22-8-6-7-15-29-22)21-11-9-20(10-12-21)24-16-26(31-34-24)27(3,4)32/h6-17,19,32H,18H2,1-5H3
InChIKeyNTVWERYFACMLOL-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.90
Rot. Bonds8

About 2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol

2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol (PubChem CID 24758737) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol
PubChem CID24758737
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol
SMILESCC(C)C(C)(c1ccc(-c2cc(C(C)(C)O)no2)cc1)c1ccc(OCc2ccccn2)cn1
InChIInChI=1S/C28H31N3O3/c1-19(2)28(5,25-14-13-23(17-30-25)33-18-22-8-6-7-15-29-22)21-11-9-20(10-12-21)24-16-26(31-34-24)27(3,4)32/h6-17,19,32H,18H2,1-5H3
InChIKeyNTVWERYFACMLOL-UHFFFAOYSA-N
XLogP5.90
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol?
The IUPAC name of 2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol (CID 24758737) is 2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol is CC(C)C(C)(c1ccc(-c2cc(C(C)(C)O)no2)cc1)c1ccc(OCc2ccccn2)cn1.
What is the InChIKey of 2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol?
The InChIKey is NTVWERYFACMLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-19(2)28(5,25-14-13-23(17-30-25)33-18-22-8-6-7-15-29-22)21-11-9-20(10-12-21)24-16-26(31-34-24)27(3,4)32/h6-17,19,32H,18H2,1-5H3.
What are the key properties of 2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol?
2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol has a molecular weight of 457.57 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol is sourced from PubChem (CID 24758737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).