3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C11H14N2O4 — CID 107369864

IUPAC3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESC=CCN(C(=O)c1cc(C(=O)O)on1)C(C)C
InChIInChI=1S/C11H14N2O4/c1-4-5-13(7(2)3)10(14)8-6-9(11(15)16)17-12-8/h4,6-7H,1,5H2,2-3H3,(H,15,16)
InChIKeyGRLWHDMMTNWKOG-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.41
Rot. Bonds5

About 3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369864) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369864
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESC=CCN(C(=O)c1cc(C(=O)O)on1)C(C)C
InChIInChI=1S/C11H14N2O4/c1-4-5-13(7(2)3)10(14)8-6-9(11(15)16)17-12-8/h4,6-7H,1,5H2,2-3H3,(H,15,16)
InChIKeyGRLWHDMMTNWKOG-UHFFFAOYSA-N
XLogP1.41
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369962
3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369440
4-chloro-N-propan-2-yl-N-prop-2-enylpyridine-2-carboxamide
CID 60746396
3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107370004
3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369205
5-methyl-N,N-bis(prop-2-enyl)-1,2-oxazole-3-carboxamide
CID 25237561
3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369276
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369445
3-[2-cyanoethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369125
3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369216
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369864) is 3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is C=CCN(C(=O)c1cc(C(=O)O)on1)C(C)C.
What is the InChIKey of 3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is GRLWHDMMTNWKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-4-5-13(7(2)3)10(14)8-6-9(11(15)16)17-12-8/h4,6-7H,1,5H2,2-3H3,(H,15,16).
What are the key properties of 3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).