3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide

C59H53N11O19S — CID 159290021

IUPAC3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide
SMILESCCOC(=O)c1cc(-c2ccco2)on1.CS(=O)(=O)OCc1cc(-c2ccco2)on1.NCc1cc(-c2ccco2)on1.O=C(Cc1ccccc1)NCc1cc(-c2ccco2)on1.OCc1cc(-c2ccco2)on1.[N-]=[N+]=NCc1cc(-c2ccco2)on1
InChIInChI=1S/C16H14N2O3.C10H9NO4.C9H9NO5S.C8H6N4O2.C8H8N2O2.C8H7NO3/c19-16(9-12-5-2-1-3-6-12)17-11-13-10-15(21-18-13)14-7-4-8-20-14;1-2-13-10(12)7-6-9(15-11-7)8-4-3-5-14-8;1-16(11,12)14-6-7-5-9(15-10-7)8-3-2-4-13-8;9-12-10-5-6-4-8(14-11-6)7-2-1-3-13-7;9-5-6-4-8(12-10-6)7-2-1-3-11-7;10-5-6-4-8(12-9-6)7-2-1-3-11-7/h1-8,10H,9,11H2,(H,17,19);3-6H,2H2,1H3;2-5H,6H2,1H3;1-4H,5H2;1-4H,5,9H2;1-4,10H,5H2
InChIKeyKZZMWTJHHJGPFP-UHFFFAOYSA-N
MW1252.20 g/mol
LogP11.88
Rot. Bonds19

About 3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide

3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide (PubChem CID 159290021) has the molecular formula C59H53N11O19S and a molecular weight of 1252.20 g/mol. Its IUPAC name is 3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide
PubChem CID159290021
Molecular FormulaC59H53N11O19S
Molecular Weight1252.20 g/mol
Exact Mass1251.32
IUPAC Name3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide
SMILESCCOC(=O)c1cc(-c2ccco2)on1.CS(=O)(=O)OCc1cc(-c2ccco2)on1.NCc1cc(-c2ccco2)on1.O=C(Cc1ccccc1)NCc1cc(-c2ccco2)on1.OCc1cc(-c2ccco2)on1.[N-]=[N+]=NCc1cc(-c2ccco2)on1
InChIInChI=1S/C16H14N2O3.C10H9NO4.C9H9NO5S.C8H6N4O2.C8H8N2O2.C8H7NO3/c19-16(9-12-5-2-1-3-6-12)17-11-13-10-15(21-18-13)14-7-4-8-20-14;1-2-13-10(12)7-6-9(15-11-7)8-4-3-5-14-8;1-16(11,12)14-6-7-5-9(15-10-7)8-3-2-4-13-8;9-12-10-5-6-4-8(14-11-6)7-2-1-3-13-7;9-5-6-4-8(12-10-6)7-2-1-3-11-7;10-5-6-4-8(12-9-6)7-2-1-3-11-7/h1-8,10H,9,11H2,(H,17,19);3-6H,2H2,1H3;2-5H,6H2,1H3;1-4H,5H2;1-4H,5,9H2;1-4,10H,5H2
InChIKeyKZZMWTJHHJGPFP-UHFFFAOYSA-N
XLogP11.88
TPSA428.80 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001252.20
LogP ≤ 511.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide with MolForge

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Related Compounds

3-Benzylazetidine;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid
CID 157639072
lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methanol;hydroxide;hydrochloride
CID 158984813
5-(Furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine
CID 159260554
lithium;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-N-hydroxy-1,2-oxazole-5-carboxamide;3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid;1-benzofuran-2-carboxylic acid;ethyl 3-[(1R)-1-aminoethyl]-1,2-oxazole-5-carboxylate;ethyl 3-[(1R)-1-(1-benzofuran-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylate;methane;methanol;hydroxide;hydrochloride
CID 159905329
5-(Furan-2-yl)-1,2-oxazole-3-carboxylic acid;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;3-phenoxyazetidine
CID 160105466
5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 160553986
ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 160937505

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide?
The IUPAC name of 3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide (CID 159290021) is 3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for 3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide?
The canonical SMILES for 3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide is CCOC(=O)c1cc(-c2ccco2)on1.CS(=O)(=O)OCc1cc(-c2ccco2)on1.NCc1cc(-c2ccco2)on1.O=C(Cc1ccccc1)NCc1cc(-c2ccco2)on1.OCc1cc(-c2ccco2)on1.[N-]=[N+]=NCc1cc(-c2ccco2)on1.
What is the InChIKey of 3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide?
The InChIKey is KZZMWTJHHJGPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3.C10H9NO4.C9H9NO5S.C8H6N4O2.C8H8N2O2.C8H7NO3/c19-16(9-12-5-2-1-3-6-12)17-11-13-10-15(21-18-13)14-7-4-8-20-14;1-2-13-10(12)7-6-9(15-11-7)8-4-3-5-14-8;1-16(11,12)14-6-7-5-9(15-10-7)8-3-2-4-13-8;9-12-10-5-6-4-8(14-11-6)7-2-1-3-13-7;9-5-6-4-8(12-10-6)7-2-1-3-11-7;10-5-6-4-8(12-9-6)7-2-1-3-11-7/h1-8,10H,9,11H2,(H,17,19);3-6H,2H2,1H3;2-5H,6H2,1H3;1-4H,5H2;1-4H,5,9H2;1-4,10H,5H2.
What are the key properties of 3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide?
3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide has a molecular weight of 1252.20 g/mol, XLogP of 11.88, 19 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 159290021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).