(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C16H18N2O3 — CID 110878380

IUPAC(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCC(O)C1
InChIInChI=1S/C16H18N2O3/c1-11-14(16(20)18-9-5-8-13(19)10-18)15(17-21-11)12-6-3-2-4-7-12/h2-4,6-7,13,19H,5,8-10H2,1H3
InChIKeyVWHYDDJHCRYIQB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.25
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 110878380) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID110878380
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCC(O)C1
InChIInChI=1S/C16H18N2O3/c1-11-14(16(20)18-9-5-8-13(19)10-18)15(17-21-11)12-6-3-2-4-7-12/h2-4,6-7,13,19H,5,8-10H2,1H3
InChIKeyVWHYDDJHCRYIQB-UHFFFAOYSA-N
XLogP2.25
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027
[(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 169410585
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 126768949
[3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 70741594
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 700898
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 47021336
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561124
[(3R)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 25288777
N,N-dimethyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 78779333
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 138806639
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 5129232
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7291240

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 110878380) is (3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is VWHYDDJHCRYIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-14(16(20)18-9-5-8-13(19)10-18)15(17-21-11)12-6-3-2-4-7-12/h2-4,6-7,13,19H,5,8-10H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 110878380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).