1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid

C15H17N3O5 — CID 122091880

IUPAC1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1occc1-c1cc(NC(=O)N2CCCC(C(=O)O)C2)no1
InChIInChI=1S/C15H17N3O5/c1-9-11(4-6-22-9)12-7-13(17-23-12)16-15(21)18-5-2-3-10(8-18)14(19)20/h4,6-7,10H,2-3,5,8H2,1H3,(H,19,20)(H,16,17,21)
InChIKeyVWEVMSASECIUCF-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.57
Rot. Bonds3

About 1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122091880) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122091880
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1occc1-c1cc(NC(=O)N2CCCC(C(=O)O)C2)no1
InChIInChI=1S/C15H17N3O5/c1-9-11(4-6-22-9)12-7-13(17-23-12)16-15(21)18-5-2-3-10(8-18)14(19)20/h4,6-7,10H,2-3,5,8H2,1H3,(H,19,20)(H,16,17,21)
InChIKeyVWEVMSASECIUCF-UHFFFAOYSA-N
XLogP2.57
TPSA108.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089896
1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 136537539
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318320
ethyl 1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47014440
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092570
1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087034
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
(3S)-1-[(2,6-dibromo-4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120967
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122091880) is 1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid is Cc1occc1-c1cc(NC(=O)N2CCCC(C(=O)O)C2)no1.
What is the InChIKey of 1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is VWEVMSASECIUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-9-11(4-6-22-9)12-7-13(17-23-12)16-15(21)18-5-2-3-10(8-18)14(19)20/h4,6-7,10H,2-3,5,8H2,1H3,(H,19,20)(H,16,17,21).
What are the key properties of 1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122091880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).