3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole

C20H21N3O — CID 99959800

IUPAC3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole
SMILESc1ccc(-c2cc(CN3CCCC[C@H]3c3cccnc3)on2)cc1
InChIInChI=1S/C20H21N3O/c1-2-7-16(8-3-1)19-13-18(24-22-19)15-23-12-5-4-10-20(23)17-9-6-11-21-14-17/h1-3,6-9,11,13-14,20H,4-5,10,12,15H2/t20-/m0/s1
InChIKeyPBADSUWMZUVZKR-FQEVSTJZSA-N
MW319.41 g/mol
LogP4.46
Rot. Bonds4

About 3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole

3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 99959800) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole
PubChem CID99959800
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole
SMILESc1ccc(-c2cc(CN3CCCC[C@H]3c3cccnc3)on2)cc1
InChIInChI=1S/C20H21N3O/c1-2-7-16(8-3-1)19-13-18(24-22-19)15-23-12-5-4-10-20(23)17-9-6-11-21-14-17/h1-3,6-9,11,13-14,20H,4-5,10,12,15H2/t20-/m0/s1
InChIKeyPBADSUWMZUVZKR-FQEVSTJZSA-N
XLogP4.46
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 40503258
1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62656794
5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 124752027
5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929165
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 91838613
3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 45197802
3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 95610205
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
5-propan-2-yl-3-[(2R)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 124751031
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
2,4-diiodo-6-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenol
CID 2857406
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole (CID 99959800) is 3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole is c1ccc(-c2cc(CN3CCCC[C@H]3c3cccnc3)on2)cc1.
What is the InChIKey of 3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is PBADSUWMZUVZKR-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-7-16(8-3-1)19-13-18(24-22-19)15-23-12-5-4-10-20(23)17-9-6-11-21-14-17/h1-3,6-9,11,13-14,20H,4-5,10,12,15H2/t20-/m0/s1.
What are the key properties of 3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole?
3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 319.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 99959800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).