4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide

C11H17N5O4 — CID 83097666

IUPAC4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)c1nonc1N
InChIInChI=1S/C11H17N5O4/c1-6(2)13-10(17)7-5-19-4-3-16(7)11(18)8-9(12)15-20-14-8/h6-7H,3-5H2,1-2H3,(H2,12,15)(H,13,17)
InChIKeyLURHAVHDKNQCJN-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.98
Rot. Bonds3

About 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide

4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83097666) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83097666
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)c1nonc1N
InChIInChI=1S/C11H17N5O4/c1-6(2)13-10(17)7-5-19-4-3-16(7)11(18)8-9(12)15-20-14-8/h6-7H,3-5H2,1-2H3,(H2,12,15)(H,13,17)
InChIKeyLURHAVHDKNQCJN-UHFFFAOYSA-N
XLogP-0.98
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106193
4-(5-methyl-1H-pyrazole-4-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103633
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-(6-amino-2,5-dimethylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105267
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096780
4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096778
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 62687637
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098043
4-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103841

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83097666) is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1C(=O)c1nonc1N.
What is the InChIKey of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is LURHAVHDKNQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-6(2)13-10(17)7-5-19-4-3-16(7)11(18)8-9(12)15-20-14-8/h6-7H,3-5H2,1-2H3,(H2,12,15)(H,13,17).
What are the key properties of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83097666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).