5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

C12H20N2O4 — CID 134390095

IUPAC5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCOCC1CC(C(=O)NCC2CCOC2)=NO1
InChIInChI=1S/C12H20N2O4/c1-2-16-8-10-5-11(14-18-10)12(15)13-6-9-3-4-17-7-9/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyQCMBLCWWMRLKSG-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.32
Rot. Bonds6

About 5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 134390095) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID134390095
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCOCC1CC(C(=O)NCC2CCOC2)=NO1
InChIInChI=1S/C12H20N2O4/c1-2-16-8-10-5-11(14-18-10)12(15)13-6-9-3-4-17-7-9/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyQCMBLCWWMRLKSG-UHFFFAOYSA-N
XLogP0.32
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201887
N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201904
N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201885
5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201907
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94198923
4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081121
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 53499972
N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide
CID 118861760
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 134390095) is 5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is CCOCC1CC(C(=O)NCC2CCOC2)=NO1.
What is the InChIKey of 5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is QCMBLCWWMRLKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-16-8-10-5-11(14-18-10)12(15)13-6-9-3-4-17-7-9/h9-10H,2-8H2,1H3,(H,13,15).
What are the key properties of 5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134390095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).