ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate

C17H16N2O5 — CID 76780100

IUPACethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(C)NC(=O)c2cc3ccccc3o2)no1
InChIInChI=1S/C17H16N2O5/c1-3-22-17(21)15-9-12(19-24-15)10(2)18-16(20)14-8-11-6-4-5-7-13(11)23-14/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyDRHOGGFHMJGJLP-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.09
Rot. Bonds5

About ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate

ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate (PubChem CID 76780100) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate
PubChem CID76780100
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Nameethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(C)NC(=O)c2cc3ccccc3o2)no1
InChIInChI=1S/C17H16N2O5/c1-3-22-17(21)15-9-12(19-24-15)10(2)18-16(20)14-8-11-6-4-5-7-13(11)23-14/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyDRHOGGFHMJGJLP-UHFFFAOYSA-N
XLogP3.09
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3241359
5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3245765
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 6619139
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-6-(2-furyl)-3-isobutyl-piperazin-2-one
CID 68158489
5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 3238493
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 5309268
5-[(4-acetylphenoxy)methyl]-N-(oxan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24792057
N-[1-(3-isoxazolyl)ethyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide
CID 24792116
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24793101
5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-3-isoxazolecarboxamide
CID 24794282
methyl N-({5-[(2,6-difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)-L-phenylalaninate
CID 24819171
N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 24790522

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate (CID 76780100) is ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate is CCOC(=O)c1cc(C(C)NC(=O)c2cc3ccccc3o2)no1.
What is the InChIKey of ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate?
The InChIKey is DRHOGGFHMJGJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-3-22-17(21)15-9-12(19-24-15)10(2)18-16(20)14-8-11-6-4-5-7-13(11)23-14/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate?
ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 76780100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).