2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol

C17H16N2O4 — CID 135823361

IUPAC2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol
SMILESCOc1cccc(C/N=C(\C)c2nc(-c3ccco3)oc2O)c1
InChIInChI=1S/C17H16N2O4/c1-11(18-10-12-5-3-6-13(9-12)21-2)15-17(20)23-16(19-15)14-7-4-8-22-14/h3-9,20H,10H2,1-2H3/b18-11+
InChIKeyXXSWNMUXZGVCGM-WOJGMQOQSA-N
MW312.33 g/mol
LogP3.66
Rot. Bonds5

About 2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol

2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol (PubChem CID 135823361) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol
PubChem CID135823361
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol
SMILESCOc1cccc(C/N=C(\C)c2nc(-c3ccco3)oc2O)c1
InChIInChI=1S/C17H16N2O4/c1-11(18-10-12-5-3-6-13(9-12)21-2)15-17(20)23-16(19-15)14-7-4-8-22-14/h3-9,20H,10H2,1-2H3/b18-11+
InChIKeyXXSWNMUXZGVCGM-WOJGMQOQSA-N
XLogP3.66
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol (CID 135823361) is 2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol is COc1cccc(C/N=C(\C)c2nc(-c3ccco3)oc2O)c1.
What is the InChIKey of 2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol?
The InChIKey is XXSWNMUXZGVCGM-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11(18-10-12-5-3-6-13(9-12)21-2)15-17(20)23-16(19-15)14-7-4-8-22-14/h3-9,20H,10H2,1-2H3/b18-11+.
What are the key properties of 2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol?
2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol has a molecular weight of 312.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-[N-[(3-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 135823361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).