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

C16H18N2O5 — CID 99638821

IUPAC(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C16H18N2O5/c1-10-12(17-15(23-10)13-5-3-7-22-13)8-14(19)18-6-2-4-11(9-18)16(20)21/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyFHZLQGLTXLSTST-NSHDSACASA-N
MW318.33 g/mol
LogP2.11
Rot. Bonds4

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

(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid (PubChem CID 99638821) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is (3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid
PubChem CID99638821
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid
SMILESCc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C16H18N2O5/c1-10-12(17-15(23-10)13-5-3-7-22-13)8-14(19)18-6-2-4-11(9-18)16(20)21/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyFHZLQGLTXLSTST-NSHDSACASA-N
XLogP2.11
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119397285
(3R,4R)-4-cyclopropyl-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978114
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride
CID 119637637
(3aS,6aR)-2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683890
2-[(2S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-2-yl]acetamide
CID 95296870
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 86885076
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95607255
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 167782573
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95613158
ethyl 1-[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylate
CID 110673618
2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide
CID 86875777

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid (CID 99638821) is (3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid is Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid?
The InChIKey is FHZLQGLTXLSTST-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O5/c1-10-12(17-15(23-10)13-5-3-7-22-13)8-14(19)18-6-2-4-11(9-18)16(20)21/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99638821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).