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

C18H17N5O5 — CID 91950900

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)n1
InChIInChI=1S/C18H17N5O5/c1-11-21-17(28-22-11)13-8-19-9-23(18(13)25)5-4-16(24)20-7-12-2-3-14-15(6-12)27-10-26-14/h2-3,6,8-9H,4-5,7,10H2,1H3,(H,20,24)
InChIKeyNYAGLYXBGCETQJ-UHFFFAOYSA-N
MW383.36 g/mol
LogP1.04
Rot. Bonds6

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

N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide (PubChem CID 91950900) has the molecular formula C18H17N5O5 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide
PubChem CID91950900
Molecular FormulaC18H17N5O5
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)n1
InChIInChI=1S/C18H17N5O5/c1-11-21-17(28-22-11)13-8-19-9-23(18(13)25)5-4-16(24)20-7-12-2-3-14-15(6-12)27-10-26-14/h2-3,6,8-9H,4-5,7,10H2,1H3,(H,20,24)
InChIKeyNYAGLYXBGCETQJ-UHFFFAOYSA-N
XLogP1.04
TPSA121.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide (CID 91950900) is N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide is Cc1noc(-c2cncn(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide?
The InChIKey is NYAGLYXBGCETQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5/c1-11-21-17(28-22-11)13-8-19-9-23(18(13)25)5-4-16(24)20-7-12-2-3-14-15(6-12)27-10-26-14/h2-3,6,8-9H,4-5,7,10H2,1H3,(H,20,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide has a molecular weight of 383.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanamide is sourced from PubChem (CID 91950900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).