N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C10H16N2O5 — CID 66156955

IUPACN-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC(OC)OC)no1
InChIInChI=1S/C10H16N2O5/c1-14-6-7-4-8(12-17-7)10(13)11-5-9(15-2)16-3/h4,9H,5-6H2,1-3H3,(H,11,13)
InChIKeyDLILBZLGKXETPL-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.17
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66156955) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID66156955
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC NameN-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC(OC)OC)no1
InChIInChI=1S/C10H16N2O5/c1-14-6-7-4-8(12-17-7)10(13)11-5-9(15-2)16-3/h4,9H,5-6H2,1-3H3,(H,11,13)
InChIKeyDLILBZLGKXETPL-UHFFFAOYSA-N
XLogP0.17
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 66156955) is N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NCC(OC)OC)no1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DLILBZLGKXETPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-14-6-7-4-8(12-17-7)10(13)11-5-9(15-2)16-3/h4,9H,5-6H2,1-3H3,(H,11,13).
What are the key properties of N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66156955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).