3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C15H20N2O4 — CID 107369706

IUPAC3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C15H20N2O4/c1-14(2)8-4-5-15(3,7-8)13(14)16-11(18)9-6-10(12(19)20)21-17-9/h6,8,13H,4-5,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyQMXKFAMLPXXBQI-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.32
Rot. Bonds3

About 3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369706) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369706
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C15H20N2O4/c1-14(2)8-4-5-15(3,7-8)13(14)16-11(18)9-6-10(12(19)20)21-17-9/h6,8,13H,4-5,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyQMXKFAMLPXXBQI-UHFFFAOYSA-N
XLogP2.32
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369706) is 3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CC12CCC(C1)C(C)(C)C2NC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is QMXKFAMLPXXBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-14(2)8-4-5-15(3,7-8)13(14)16-11(18)9-6-10(12(19)20)21-17-9/h6,8,13H,4-5,7H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).