2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid

C18H14N2O3 — CID 142947754

IUPAC2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(/C=N/c2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C18H14N2O3/c21-18(22)9-13-1-3-14(4-2-13)10-20-16-7-5-15(6-8-16)17-11-19-12-23-17/h1-8,10-12H,9H2,(H,21,22)/b20-10+
InChIKeyJLTXANKEKSOAPI-KEBDBYFISA-N
MW306.32 g/mol
LogP3.72
Rot. Bonds5

About 2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid

2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid (PubChem CID 142947754) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid
PubChem CID142947754
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(/C=N/c2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C18H14N2O3/c21-18(22)9-13-1-3-14(4-2-13)10-20-16-7-5-15(6-8-16)17-11-19-12-23-17/h1-8,10-12H,9H2,(H,21,22)/b20-10+
InChIKeyJLTXANKEKSOAPI-KEBDBYFISA-N
XLogP3.72
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid (CID 142947754) is 2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid is O=C(O)Cc1ccc(/C=N/c2ccc(-c3cnco3)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid?
The InChIKey is JLTXANKEKSOAPI-KEBDBYFISA-N. The full InChI is InChI=1S/C18H14N2O3/c21-18(22)9-13-1-3-14(4-2-13)10-20-16-7-5-15(6-8-16)17-11-19-12-23-17/h1-8,10-12H,9H2,(H,21,22)/b20-10+.
What are the key properties of 2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid?
2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid has a molecular weight of 306.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1,3-oxazol-5-yl)phenyl]iminomethyl]phenyl]acetic acid is sourced from PubChem (CID 142947754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).