3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

C16H22N6O4 — CID 91950876

IUPAC3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NCCN3CCOCC3)c2=O)n1
InChIInChI=1S/C16H22N6O4/c1-12-19-15(26-20-12)13-10-17-11-22(16(13)24)4-2-14(23)18-3-5-21-6-8-25-9-7-21/h10-11H,2-9H2,1H3,(H,18,23)
InChIKeyBUPRJVUWBBLQHT-UHFFFAOYSA-N
MW362.39 g/mol
LogP-0.56
Rot. Bonds7

About 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 91950876) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID91950876
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NCCN3CCOCC3)c2=O)n1
InChIInChI=1S/C16H22N6O4/c1-12-19-15(26-20-12)13-10-17-11-22(16(13)24)4-2-14(23)18-3-5-21-6-8-25-9-7-21/h10-11H,2-9H2,1H3,(H,18,23)
InChIKeyBUPRJVUWBBLQHT-UHFFFAOYSA-N
XLogP-0.56
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-morpholin-4-ylpropyl)-5-(2-oxo-1,2-dihydropyridin-3-yl)-1,2,4-oxadiazole-3-carboxamide
CID 136328264
4-Hydroxy-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-YL]ethyl}-2-methylpyrimidine-5-carboxamide
CID 72880680
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 91950824
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 91950827
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide
CID 91950845
5-(3-Methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one
CID 91950872
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 91950880
5-(3-Methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one
CID 91950882
3-[3-(4-Ethylpiperazin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
CID 91950883
3-[3-(2,6-Dimethylmorpholin-4-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
CID 91950891
Ethyl 4-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperazine-1-carboxylate
CID 91950895
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 91950899

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 91950876) is 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is Cc1noc(-c2cncn(CCC(=O)NCCN3CCOCC3)c2=O)n1.
What is the InChIKey of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is BUPRJVUWBBLQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4/c1-12-19-15(26-20-12)13-10-17-11-22(16(13)24)4-2-14(23)18-3-5-21-6-8-25-9-7-21/h10-11H,2-9H2,1H3,(H,18,23).
What are the key properties of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 362.39 g/mol, XLogP of -0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 91950876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).