methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate

C17H14N2O5S — CID 90503043

IUPACmethyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C17H14N2O5S/c1-22-15(20)10-4-8-25-14(10)18-16(21)17(5-6-17)13-9-12(24-19-13)11-3-2-7-23-11/h2-4,7-9H,5-6H2,1H3,(H,18,21)
InChIKeyQOKMMJDMHVJOGM-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.45
Rot. Bonds5

About methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate

methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate (PubChem CID 90503043) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate
PubChem CID90503043
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Namemethyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C17H14N2O5S/c1-22-15(20)10-4-8-25-14(10)18-16(21)17(5-6-17)13-9-12(24-19-13)11-3-2-7-23-11/h2-4,7-9H,5-6H2,1H3,(H,18,21)
InChIKeyQOKMMJDMHVJOGM-UHFFFAOYSA-N
XLogP3.45
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502897
N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502927
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502967
N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502771
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 90503022
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-octylcyclopropane-1-carboxamide
CID 90502974
N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502598
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 90502702
methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 30850547
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 90502761
N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502682
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 90502766

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate (CID 90503043) is methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)C1(c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate?
The InChIKey is QOKMMJDMHVJOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-22-15(20)10-4-8-25-14(10)18-16(21)17(5-6-17)13-9-12(24-19-13)11-3-2-7-23-11/h2-4,7-9H,5-6H2,1H3,(H,18,21).
What are the key properties of methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate?
methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate has a molecular weight of 358.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 90503043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).