[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone

C25H29N3O3 — CID 121378826

IUPAC[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone
SMILESCc1oc(C[C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)nc1C(C)(C)O
InChIInChI=1S/C25H29N3O3/c1-17-23(25(2,3)30)27-21(31-17)16-19-12-7-8-15-28(19)24(29)22-20(13-9-14-26-22)18-10-5-4-6-11-18/h4-6,9-11,13-14,19,30H,7-8,12,15-16H2,1-3H3/t19-/m1/s1
InChIKeyCKDXTCPACRQRGY-LJQANCHMSA-N
MW419.53 g/mol
LogP4.51
Rot. Bonds5

About [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone

[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone (PubChem CID 121378826) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone
PubChem CID121378826
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone
SMILESCc1oc(C[C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)nc1C(C)(C)O
InChIInChI=1S/C25H29N3O3/c1-17-23(25(2,3)30)27-21(31-17)16-19-12-7-8-15-28(19)24(29)22-20(13-9-14-26-22)18-10-5-4-6-11-18/h4-6,9-11,13-14,19,30H,7-8,12,15-16H2,1-3H3/t19-/m1/s1
InChIKeyCKDXTCPACRQRGY-LJQANCHMSA-N
XLogP4.51
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
The IUPAC name of [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone (CID 121378826) is [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone.
What is the SMILES notation for [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
The canonical SMILES for [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone is Cc1oc(C[C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)nc1C(C)(C)O.
What is the InChIKey of [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
The InChIKey is CKDXTCPACRQRGY-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17-23(25(2,3)30)27-21(31-17)16-19-12-7-8-15-28(19)24(29)22-20(13-9-14-26-22)18-10-5-4-6-11-18/h4-6,9-11,13-14,19,30H,7-8,12,15-16H2,1-3H3/t19-/m1/s1.
What are the key properties of [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone has a molecular weight of 419.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone is sourced from PubChem (CID 121378826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).