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

C13H18N4O4 — CID 122559762

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCOCCc1noc(CNC(=O)c2ncoc2C(C)C)n1
InChIInChI=1S/C13H18N4O4/c1-8(2)12-11(15-7-20-12)13(18)14-6-10-16-9(17-21-10)4-5-19-3/h7-8H,4-6H2,1-3H3,(H,14,18)
InChIKeyOWWCWTLABXRRSX-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.30
Rot. Bonds7

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

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 122559762) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID122559762
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCOCCc1noc(CNC(=O)c2ncoc2C(C)C)n1
InChIInChI=1S/C13H18N4O4/c1-8(2)12-11(15-7-20-12)13(18)14-6-10-16-9(17-21-10)4-5-19-3/h7-8H,4-6H2,1-3H3,(H,14,18)
InChIKeyOWWCWTLABXRRSX-UHFFFAOYSA-N
XLogP1.30
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 122559762) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is COCCc1noc(CNC(=O)c2ncoc2C(C)C)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is OWWCWTLABXRRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8(2)12-11(15-7-20-12)13(18)14-6-10-16-9(17-21-10)4-5-19-3/h7-8H,4-6H2,1-3H3,(H,14,18).
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122559762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).