N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

C18H27N5O5 — CID 167827777

IUPACN-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCOC(C)c1noc(CN2CCOCC2CNC(=O)c2ncoc2C(C)C)n1
InChIInChI=1S/C18H27N5O5/c1-11(2)16-15(20-10-27-16)18(24)19-7-13-9-26-6-5-23(13)8-14-21-17(22-28-14)12(3)25-4/h10-13H,5-9H2,1-4H3,(H,19,24)
InChIKeyGAYFXOSVMYQYPB-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.52
Rot. Bonds8

About N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 167827777) has the molecular formula C18H27N5O5 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID167827777
Molecular FormulaC18H27N5O5
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC NameN-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCOC(C)c1noc(CN2CCOCC2CNC(=O)c2ncoc2C(C)C)n1
InChIInChI=1S/C18H27N5O5/c1-11(2)16-15(20-10-27-16)18(24)19-7-13-9-26-6-5-23(13)8-14-21-17(22-28-14)12(3)25-4/h10-13H,5-9H2,1-4H3,(H,19,24)
InChIKeyGAYFXOSVMYQYPB-UHFFFAOYSA-N
XLogP1.52
TPSA115.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 167827777) is N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is COC(C)c1noc(CN2CCOCC2CNC(=O)c2ncoc2C(C)C)n1.
What is the InChIKey of N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is GAYFXOSVMYQYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O5/c1-11(2)16-15(20-10-27-16)18(24)19-7-13-9-26-6-5-23(13)8-14-21-17(22-28-14)12(3)25-4/h10-13H,5-9H2,1-4H3,(H,19,24).
What are the key properties of N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167827777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).