2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol

C17H12Cl2N2O3 — CID 4642510

IUPAC2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCOc1ccc(Cl)cc1-c1nc(/C=N/c2ccccc2Cl)c(O)o1
InChIInChI=1S/C17H12Cl2N2O3/c1-23-15-7-6-10(18)8-11(15)16-21-14(17(22)24-16)9-20-13-5-3-2-4-12(13)19/h2-9,22H,1H3/b20-9+
InChIKeyMVFNKHKGAIQOGU-AWQFTUOYSA-N
MW363.20 g/mol
LogP5.11
Rot. Bonds4

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

2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol (PubChem CID 4642510) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol
PubChem CID4642510
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCOc1ccc(Cl)cc1-c1nc(/C=N/c2ccccc2Cl)c(O)o1
InChIInChI=1S/C17H12Cl2N2O3/c1-23-15-7-6-10(18)8-11(15)16-21-14(17(22)24-16)9-20-13-5-3-2-4-12(13)19/h2-9,22H,1H3/b20-9+
InChIKeyMVFNKHKGAIQOGU-AWQFTUOYSA-N
XLogP5.11
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.20
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol (CID 4642510) is 2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol is COc1ccc(Cl)cc1-c1nc(/C=N/c2ccccc2Cl)c(O)o1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol?
The InChIKey is MVFNKHKGAIQOGU-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-23-15-7-6-10(18)8-11(15)16-21-14(17(22)24-16)9-20-13-5-3-2-4-12(13)19/h2-9,22H,1H3/b20-9+.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol?
2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol has a molecular weight of 363.20 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-4-[(2-chlorophenyl)iminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 4642510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).