3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid

C12H17N3O5 — CID 107369935

IUPAC3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCN(CC)C(=O)CCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H17N3O5/c1-3-15(4-2)10(16)5-6-13-11(17)8-7-9(12(18)19)20-14-8/h7H,3-6H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyWSFBPKGFMBVNNJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.36
Rot. Bonds7

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

3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369935) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369935
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCN(CC)C(=O)CCNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H17N3O5/c1-3-15(4-2)10(16)5-6-13-11(17)8-7-9(12(18)19)20-14-8/h7H,3-6H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyWSFBPKGFMBVNNJ-UHFFFAOYSA-N
XLogP0.36
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369491
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369494
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
3-(3-methylsulfanylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369677
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431
5-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 115588687
3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369939
3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369276
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369074

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369935) is 3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid is CCN(CC)C(=O)CCNC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is WSFBPKGFMBVNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-15(4-2)10(16)5-6-13-11(17)8-7-9(12(18)19)20-14-8/h7H,3-6H2,1-2H3,(H,13,17)(H,18,19).
What are the key properties of 3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).