2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol

C20H19IN2O3 — CID 4987180

IUPAC2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCCCCOc1ccc(-c2nc(/C=N/c3ccc(I)cc3)c(O)o2)cc1
InChIInChI=1S/C20H19IN2O3/c1-2-3-12-25-17-10-4-14(5-11-17)19-23-18(20(24)26-19)13-22-16-8-6-15(21)7-9-16/h4-11,13,24H,2-3,12H2,1H3/b22-13+
InChIKeyNQTXKQNVDZRXFP-LPYMAVHISA-N
MW462.29 g/mol
LogP5.58
Rot. Bonds7

About 2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol

2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol (PubChem CID 4987180) has the molecular formula C20H19IN2O3 and a molecular weight of 462.29 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol
PubChem CID4987180
Molecular FormulaC20H19IN2O3
Molecular Weight462.29 g/mol
Exact Mass462.04
IUPAC Name2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCCCCOc1ccc(-c2nc(/C=N/c3ccc(I)cc3)c(O)o2)cc1
InChIInChI=1S/C20H19IN2O3/c1-2-3-12-25-17-10-4-14(5-11-17)19-23-18(20(24)26-19)13-22-16-8-6-15(21)7-9-16/h4-11,13,24H,2-3,12H2,1H3/b22-13+
InChIKeyNQTXKQNVDZRXFP-LPYMAVHISA-N
XLogP5.58
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.29
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol
CID 5006371
4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 5016002
2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol
CID 5193577
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
CID 136903559
4-[6-[4-[[4-[2-[4-[[4-[4,8-bis(4-dodecoxyphenyl)-2-(4-sulfanylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]methylideneamino]phenyl]-4,8-bis(4-dodecoxyphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]iminomethyl]phenyl]-4,8-bis(4-dodecoxyphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl]benzenethiol
CID 102319994
2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol
CID 1049844
2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
CID 4022557
[4-[[4-(6-dodecoxy-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-3-hydroxyphenyl] 4-decoxybenzoate
CID 136776930
2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol
CID 3699852
4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol
CID 5210378
2-[4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]phenyl]acetonitrile
CID 5009065

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol (CID 4987180) is 2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol is CCCCOc1ccc(-c2nc(/C=N/c3ccc(I)cc3)c(O)o2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol?
The InChIKey is NQTXKQNVDZRXFP-LPYMAVHISA-N. The full InChI is InChI=1S/C20H19IN2O3/c1-2-3-12-25-17-10-4-14(5-11-17)19-23-18(20(24)26-19)13-22-16-8-6-15(21)7-9-16/h4-11,13,24H,2-3,12H2,1H3/b22-13+.
What are the key properties of 2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol?
2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol has a molecular weight of 462.29 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 4987180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).