3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C9H12N2O6 — CID 107369276

IUPAC3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N(CCO)CCO)no1
InChIInChI=1S/C9H12N2O6/c12-3-1-11(2-4-13)8(14)6-5-7(9(15)16)17-10-6/h5,12-13H,1-4H2,(H,15,16)
InChIKeyDCKPATWRQNHYBY-UHFFFAOYSA-N
MW244.20 g/mol
LogP-1.20
Rot. Bonds6

About 3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369276) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369276
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N(CCO)CCO)no1
InChIInChI=1S/C9H12N2O6/c12-3-1-11(2-4-13)8(14)6-5-7(9(15)16)17-10-6/h5,12-13H,1-4H2,(H,15,16)
InChIKeyDCKPATWRQNHYBY-UHFFFAOYSA-N
XLogP-1.20
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369205
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157570
N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 55026114
3-[2-cyanoethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369125
3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369935
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107370004
3-[methyl(2-pyridin-4-ylethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369258
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369445
3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369216

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369276) is 3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C(=O)N(CCO)CCO)no1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is DCKPATWRQNHYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6/c12-3-1-11(2-4-13)8(14)6-5-7(9(15)16)17-10-6/h5,12-13H,1-4H2,(H,15,16).
What are the key properties of 3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 244.20 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).