2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole

C16H20N2O — CID 75790350

IUPAC2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
SMILESCC1CCCCN1Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H20N2O/c1-13-7-5-6-10-18(13)12-16-17-11-15(19-16)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3
InChIKeyJEDLIQNREHVSMC-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.72
Rot. Bonds3

About 2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole

2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole (PubChem CID 75790350) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
PubChem CID75790350
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
SMILESCC1CCCCN1Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H20N2O/c1-13-7-5-6-10-18(13)12-16-17-11-15(19-16)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3
InChIKeyJEDLIQNREHVSMC-UHFFFAOYSA-N
XLogP3.72
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788920
3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467616
[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
CID 80505307
2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole
CID 66210190
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 71885006
2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 56502007
2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 71877632
[6-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methanol
CID 102936044
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 86972382
5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 46923436
5-(4-fluorophenyl)-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95569830
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788948

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole (CID 75790350) is 2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole is CC1CCCCN1Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole?
The InChIKey is JEDLIQNREHVSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-7-5-6-10-18(13)12-16-17-11-15(19-16)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3.
What are the key properties of 2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole?
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole has a molecular weight of 256.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 75790350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).