2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol

C15H12N2O4 — CID 3699852

IUPAC2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCOc1ccc(/N=C/c2nc(-c3ccco3)oc2O)cc1
InChIInChI=1S/C15H12N2O4/c1-19-11-6-4-10(5-7-11)16-9-12-15(18)21-14(17-12)13-3-2-8-20-13/h2-9,18H,1H3/b16-9+
InChIKeyATGWZTWNHUIYMD-CXUHLZMHSA-N
MW284.27 g/mol
LogP3.40
Rot. Bonds4

About 2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol

2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol (PubChem CID 3699852) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol
PubChem CID3699852
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCOc1ccc(/N=C/c2nc(-c3ccco3)oc2O)cc1
InChIInChI=1S/C15H12N2O4/c1-19-11-6-4-10(5-7-11)16-9-12-15(18)21-14(17-12)13-3-2-8-20-13/h2-9,18H,1H3/b16-9+
InChIKeyATGWZTWNHUIYMD-CXUHLZMHSA-N
XLogP3.40
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.40
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-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol (CID 3699852) is 2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol is COc1ccc(/N=C/c2nc(-c3ccco3)oc2O)cc1.
What is the InChIKey of 2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol?
The InChIKey is ATGWZTWNHUIYMD-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-19-11-6-4-10(5-7-11)16-9-12-15(18)21-14(17-12)13-3-2-8-20-13/h2-9,18H,1H3/b16-9+.
What are the key properties of 2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol?
2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol has a molecular weight of 284.27 g/mol, XLogP of 3.40, 4 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-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 3699852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).