(4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone

C21H23N3O2 — CID 94609056

IUPAC(4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
SMILESO=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(19-15-20(26-23-19)16-7-3-1-4-8-16)24-13-11-18(12-14-24)22-17-9-5-2-6-10-17/h1-10,18,20,22H,11-15H2/t20-/m1/s1
InChIKeyFLHZFQPTSCYXKU-HXUWFJFHSA-N
MW349.43 g/mol
LogP3.61
Rot. Bonds4

About (4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone

(4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone (PubChem CID 94609056) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
PubChem CID94609056
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
SMILESO=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(19-15-20(26-23-19)16-7-3-1-4-8-16)24-13-11-18(12-14-24)22-17-9-5-2-6-10-17/h1-10,18,20,22H,11-15H2/t20-/m1/s1
InChIKeyFLHZFQPTSCYXKU-HXUWFJFHSA-N
XLogP3.61
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

(4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 94823527
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996
[(5aS,8aR)-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl]-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 95980444
[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 51966024
2-bromo-1-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 87557465
(3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide
CID 94606951
5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167930152
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256
[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 86946854
(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CID 95062084
3-phenyl-1-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)prop-2-yn-1-one
CID 102453464
(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538881

Frequently Asked Questions

What is the IUPAC name of (4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone (CID 94609056) is (4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone is O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of (4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The InChIKey is FLHZFQPTSCYXKU-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(19-15-20(26-23-19)16-7-3-1-4-8-16)24-13-11-18(12-14-24)22-17-9-5-2-6-10-17/h1-10,18,20,22H,11-15H2/t20-/m1/s1.
What are the key properties of (4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
(4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 94609056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).