4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid

C10H13N3O4 — CID 142735436

IUPAC4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid
SMILESO=C(Nc1ccon1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H13N3O4/c14-9(11-8-3-6-17-12-8)7-1-4-13(5-2-7)10(15)16/h3,6-7H,1-2,4-5H2,(H,15,16)(H,11,12,14)
InChIKeyUSKRJDMSGSSMFL-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.00
Rot. Bonds2

About 4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid

4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid (PubChem CID 142735436) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid
PubChem CID142735436
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid
SMILESO=C(Nc1ccon1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H13N3O4/c14-9(11-8-3-6-17-12-8)7-1-4-13(5-2-7)10(15)16/h3,6-7H,1-2,4-5H2,(H,15,16)(H,11,12,14)
InChIKeyUSKRJDMSGSSMFL-UHFFFAOYSA-N
XLogP1.00
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-3-yl)cyclopentanecarboxamide
CID 17218146
3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide
CID 164651421
N-(1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 83137183
(3S)-N-(1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 81139342
2-methyl-N-(1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 106739982
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
[3-(1,2-oxazol-3-ylcarbamoyl)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 146314074
N-(1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 62902343
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 121071892
N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 108811781
1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032522
4-methyl-N-(1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 114423957

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid (CID 142735436) is 4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid is O=C(Nc1ccon1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid?
The InChIKey is USKRJDMSGSSMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-9(11-8-3-6-17-12-8)7-1-4-13(5-2-7)10(15)16/h3,6-7H,1-2,4-5H2,(H,15,16)(H,11,12,14).
What are the key properties of 4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid?
4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-3-ylcarbamoyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 142735436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).