4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid

C12H18N4O5 — CID 106402658

IUPAC4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCc1noc(C)n1)C1COCC1C(=O)O
InChIInChI=1S/C12H18N4O5/c1-3-16(9-6-20-5-8(9)11(17)18)12(19)13-4-10-14-7(2)21-15-10/h8-9H,3-6H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyCGSVUISUQMIZFA-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.01
Rot. Bonds5

About 4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 106402658) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID106402658
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Name4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCc1noc(C)n1)C1COCC1C(=O)O
InChIInChI=1S/C12H18N4O5/c1-3-16(9-6-20-5-8(9)11(17)18)12(19)13-4-10-14-7(2)21-15-10/h8-9H,3-6H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyCGSVUISUQMIZFA-UHFFFAOYSA-N
XLogP0.01
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245923
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236018
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213
4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246127
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
N-cyclopropyl-N-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 114183707
4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66246620
4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253468
4-[ethyl-(5-methylpyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245826
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid (CID 106402658) is 4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)NCc1noc(C)n1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is CGSVUISUQMIZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-3-16(9-6-20-5-8(9)11(17)18)12(19)13-4-10-14-7(2)21-15-10/h8-9H,3-6H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106402658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).