ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate

C19H18N2O5 — CID 42169756

IUPACethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)no2)o1
InChIInChI=1S/C19H18N2O5/c1-2-24-19(23)16-9-8-15(25-16)12-20-18(22)17-11-14(21-26-17)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,20,22)
InChIKeyNNLIFMCMSUSFPT-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.97
Rot. Bonds7

About ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate

ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 42169756) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate
PubChem CID42169756
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Nameethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)no2)o1
InChIInChI=1S/C19H18N2O5/c1-2-24-19(23)16-9-8-15(25-16)12-20-18(22)17-11-14(21-26-17)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,20,22)
InChIKeyNNLIFMCMSUSFPT-UHFFFAOYSA-N
XLogP2.97
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71860945
ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976281
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
CID 56836124
ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
CID 71976298
ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
CID 71976289
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
ethyl 5-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]furan-2-carboxylate;hydroiodide
CID 111859518
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 84586320
ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976284
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
3-benzyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42376774

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate (CID 42169756) is ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)no2)o1.
What is the InChIKey of ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is NNLIFMCMSUSFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-2-24-19(23)16-9-8-15(25-16)12-20-18(22)17-11-14(21-26-17)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,20,22).
What are the key properties of ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate?
ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate has a molecular weight of 354.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 42169756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).