[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone

C24H27N3O3 — CID 121305929

IUPAC[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone
SMILESC[C@@H]1CC[C@@H](c2cc(C(C)(C)O)no2)CN1C(=O)c1ncccc1-c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-16-11-12-18(20-14-21(26-30-20)24(2,3)29)15-27(16)23(28)22-19(10-7-13-25-22)17-8-5-4-6-9-17/h4-10,13-14,16,18,29H,11-12,15H2,1-3H3/t16-,18-/m1/s1
InChIKeyPHYLUQKYWWDAOY-SJLPKXTDSA-N
MW405.50 g/mol
LogP4.37
Rot. Bonds4

About [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone

[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone (PubChem CID 121305929) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone
PubChem CID121305929
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone
SMILESC[C@@H]1CC[C@@H](c2cc(C(C)(C)O)no2)CN1C(=O)c1ncccc1-c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-16-11-12-18(20-14-21(26-30-20)24(2,3)29)15-27(16)23(28)22-19(10-7-13-25-22)17-8-5-4-6-9-17/h4-10,13-14,16,18,29H,11-12,15H2,1-3H3/t16-,18-/m1/s1
InChIKeyPHYLUQKYWWDAOY-SJLPKXTDSA-N
XLogP4.37
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
The IUPAC name of [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone (CID 121305929) is [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone.
What is the SMILES notation for [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
The canonical SMILES for [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone is C[C@@H]1CC[C@@H](c2cc(C(C)(C)O)no2)CN1C(=O)c1ncccc1-c1ccccc1.
What is the InChIKey of [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
The InChIKey is PHYLUQKYWWDAOY-SJLPKXTDSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-11-12-18(20-14-21(26-30-20)24(2,3)29)15-27(16)23(28)22-19(10-7-13-25-22)17-8-5-4-6-9-17/h4-10,13-14,16,18,29H,11-12,15H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone has a molecular weight of 405.50 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone is sourced from PubChem (CID 121305929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).