N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide

C13H18N2O4 — CID 97434585

IUPACN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCC1=NO[C@H](CNC(=O)c2ccc(COC)o2)C1
InChIInChI=1S/C13H18N2O4/c1-3-9-6-11(19-15-9)7-14-13(16)12-5-4-10(18-12)8-17-2/h4-5,11H,3,6-8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyOEEPTPUGGBXPQZ-NSHDSACASA-N
MW266.30 g/mol
LogP1.71
Rot. Bonds6

About N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide

N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 97434585) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID97434585
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCC1=NO[C@H](CNC(=O)c2ccc(COC)o2)C1
InChIInChI=1S/C13H18N2O4/c1-3-9-6-11(19-15-9)7-14-13(16)12-5-4-10(18-12)8-17-2/h4-5,11H,3,6-8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyOEEPTPUGGBXPQZ-NSHDSACASA-N
XLogP1.71
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide with MolForge

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Related Compounds

5-(methoxymethyl)-N-[2-oxo-2-(propylamino)ethyl]furan-2-carboxamide
CID 78827647
N-[(2R)-2-(ethylamino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 120650443
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 50976410
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(methoxymethyl)-N-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 78851950
4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 50980900
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide
CID 45175874
5-(methoxymethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 78827581
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 56700613

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide (CID 97434585) is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide is CCC1=NO[C@H](CNC(=O)c2ccc(COC)o2)C1.
What is the InChIKey of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is OEEPTPUGGBXPQZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-9-6-11(19-15-9)7-14-13(16)12-5-4-10(18-12)8-17-2/h4-5,11H,3,6-8H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 97434585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).