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

C16H20N6O5 — CID 91950827

IUPAC3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NCC(=O)N3CCOCC3)c2=O)n1
InChIInChI=1S/C16H20N6O5/c1-11-19-15(27-20-11)12-8-17-10-22(16(12)25)3-2-13(23)18-9-14(24)21-4-6-26-7-5-21/h8,10H,2-7,9H2,1H3,(H,18,23)
InChIKeyHSJJBGIHAPDPOW-UHFFFAOYSA-N
MW376.37 g/mol
LogP-1.03
Rot. Bonds6

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

3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-yl-2-oxoethyl)propanamide (PubChem CID 91950827) has the molecular formula C16H20N6O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-yl-2-oxoethyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
PubChem CID91950827
Molecular FormulaC16H20N6O5
Molecular Weight376.37 g/mol
Exact Mass376.15
IUPAC Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NCC(=O)N3CCOCC3)c2=O)n1
InChIInChI=1S/C16H20N6O5/c1-11-19-15(27-20-11)12-8-17-10-22(16(12)25)3-2-13(23)18-9-14(24)21-4-6-26-7-5-21/h8,10H,2-7,9H2,1H3,(H,18,23)
InChIKeyHSJJBGIHAPDPOW-UHFFFAOYSA-N
XLogP-1.03
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 5-1.03
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
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-(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-(2-morpholin-4-ylethyl)propanamide
CID 91950876
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
3-[3-(4-Acetylpiperazin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
CID 91950902
5-(3-Methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]pyrimidin-4-one
CID 91950904

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-yl-2-oxoethyl)propanamide?
The IUPAC name of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-yl-2-oxoethyl)propanamide (CID 91950827) is 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-yl-2-oxoethyl)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-yl-2-oxoethyl)propanamide?
The canonical SMILES for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-yl-2-oxoethyl)propanamide is Cc1noc(-c2cncn(CCC(=O)NCC(=O)N3CCOCC3)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-yl-2-oxoethyl)propanamide?
The InChIKey is HSJJBGIHAPDPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O5/c1-11-19-15(27-20-11)12-8-17-10-22(16(12)25)3-2-13(23)18-9-14(24)21-4-6-26-7-5-21/h8,10H,2-7,9H2,1H3,(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-yl-2-oxoethyl)propanamide?
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-morpholin-4-yl-2-oxoethyl)propanamide has a molecular weight of 376.37 g/mol, XLogP of -1.03, 6 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-yl-2-oxoethyl)propanamide is sourced from PubChem (CID 91950827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).