[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

C16H18N2O3 — CID 60956875

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)no1)N1CCC(CO)CC1
InChIInChI=1S/C16H18N2O3/c19-11-12-6-8-18(9-7-12)16(20)15-10-14(17-21-15)13-4-2-1-3-5-13/h1-5,10,12,19H,6-9,11H2
InChIKeyGWJQQLMPRRCMJP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.19
Rot. Bonds3

About [4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 60956875) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID60956875
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)no1)N1CCC(CO)CC1
InChIInChI=1S/C16H18N2O3/c19-11-12-6-8-18(9-7-12)16(20)15-10-14(17-21-15)13-4-2-1-3-5-13/h1-5,10,12,19H,6-9,11H2
InChIKeyGWJQQLMPRRCMJP-UHFFFAOYSA-N
XLogP2.19
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119563333
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 56749202
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 166338859
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
[(3S,4S)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 133128773
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 46471114
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 70761884
(3S,4S)-4-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952058
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55668581
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646198
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 155499872

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (CID 60956875) is [4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)no1)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is GWJQQLMPRRCMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-11-12-6-8-18(9-7-12)16(20)15-10-14(17-21-15)13-4-2-1-3-5-13/h1-5,10,12,19H,6-9,11H2.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 60956875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).