1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid

C18H20N2O4 — CID 119167546

IUPAC1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C18H20N2O4/c1-12-15(19-17(24-12)13-6-3-2-4-7-13)10-16(21)20-9-5-8-14(11-20)18(22)23/h2-4,6-7,14H,5,8-11H2,1H3,(H,22,23)
InChIKeyKQPMJPCHWGZYFA-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.52
Rot. Bonds4

About 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid

1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 119167546) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID119167546
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C18H20N2O4/c1-12-15(19-17(24-12)13-6-3-2-4-7-13)10-16(21)20-9-5-8-14(11-20)18(22)23/h2-4,6-7,14H,5,8-11H2,1H3,(H,22,23)
InChIKeyKQPMJPCHWGZYFA-UHFFFAOYSA-N
XLogP2.52
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 99638821
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110416327
1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110649497
ethyl 1-[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylate
CID 110673618
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110633136
1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 138381218
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229706
2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 110371859

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid (CID 119167546) is 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid is Cc1oc(-c2ccccc2)nc1CC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is KQPMJPCHWGZYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-15(19-17(24-12)13-6-3-2-4-7-13)10-16(21)20-9-5-8-14(11-20)18(22)23/h2-4,6-7,14H,5,8-11H2,1H3,(H,22,23).
What are the key properties of 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).