6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

C11H12N2O4 — CID 62903979

IUPAC6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)Nc1cnoc1
InChIInChI=1S/C11H12N2O4/c14-10(13-7-5-12-17-6-7)8-3-1-2-4-9(8)11(15)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)(H,15,16)
InChIKeyNJGUJWIMJSFROM-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.28
Rot. Bonds3

About 6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 62903979) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID62903979
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)Nc1cnoc1
InChIInChI=1S/C11H12N2O4/c14-10(13-7-5-12-17-6-7)8-3-1-2-4-9(8)11(15)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)(H,15,16)
InChIKeyNJGUJWIMJSFROM-UHFFFAOYSA-N
XLogP1.28
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390961
(1S,6R)-6-[(6-fluoro-3-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114052653
(1S,6S)-6-[(4-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795167
4-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]benzoic acid
CID 2883124
(1R,6S)-6-[(3,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6942206
(1R,6R)-6-(pyrimidin-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 1224876
(1S,6R)-6-[(4-carbamoylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 802032
(1S,6R)-6-[(4-acetylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7028285
(1R,6R)-6-[(4-carbamoylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 802027
4-(ethylamino)-N-(1,2-oxazol-4-yl)oxolane-3-carboxamide
CID 66259686
(2R)-N-(1,2-oxazol-4-yl)oxolane-2-carboxamide
CID 130616436
(1S,6S)-6-[(4-phenoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795296

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (CID 62903979) is 6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=CCC1C(=O)Nc1cnoc1.
What is the InChIKey of 6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is NJGUJWIMJSFROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-10(13-7-5-12-17-6-7)8-3-1-2-4-9(8)11(15)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)(H,15,16).
What are the key properties of 6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 62903979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).