5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H17N3O5 — CID 107427469

IUPAC5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCN(CC)C(=O)CNC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H17N3O5/c1-3-14(4-2)9(15)6-12-10(16)8-5-7(11(17)18)13-19-8/h8H,3-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyORIOOJKLTQVLAB-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.80
Rot. Bonds6

About 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427469) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427469
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCN(CC)C(=O)CNC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H17N3O5/c1-3-14(4-2)9(15)6-12-10(16)8-5-7(11(17)18)13-19-8/h8H,3-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyORIOOJKLTQVLAB-UHFFFAOYSA-N
XLogP-0.80
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427121
5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426890
5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427626
5-(3-butoxypropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427532
5-(2-methoxypropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427611
5-(4-methylpentylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427166
5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427055
5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427031
5-(heptan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426902
5-(1-methylsulfanylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427545
5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427190
5-(oxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427010

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427469) is 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCN(CC)C(=O)CNC(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is ORIOOJKLTQVLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-3-14(4-2)9(15)6-12-10(16)8-5-7(11(17)18)13-19-8/h8H,3-6H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).