5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole

C18H16BrNO3 — CID 144673436

IUPAC5-(bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
SMILESCOC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CBr
InChIInChI=1S/C18H16BrNO3/c1-21-14-7-3-12(4-8-14)17-16(11-19)23-20-18(17)13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyZGXAXMFPKWHSLB-UHFFFAOYSA-N
MW374.20 g/mol
LogP4.20
Rot. Bonds5

About 5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole

5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole (PubChem CID 144673436) has the molecular formula C18H16BrNO3 and a molecular weight of 374.20 g/mol. Its IUPAC name is 5-(bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
PubChem CID144673436
Molecular FormulaC18H16BrNO3
Molecular Weight374.20 g/mol
Exact Mass373.03
IUPAC Name5-(bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
SMILESCOC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CBr
InChIInChI=1S/C18H16BrNO3/c1-21-14-7-3-12(4-8-14)17-16(11-19)23-20-18(17)13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyZGXAXMFPKWHSLB-UHFFFAOYSA-N
XLogP4.20
TPSA44.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity354

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Mofezolac
CID 4237
Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
3,4-Bis(4-methoxyphenyl)-5-methylisoxazole
CID 3954928
Methyl 4-(5-phenyl-4-isoxazolyl)phenyl ether
CID 11311281
3-(4-Methoxyphenyl)-4-phenyl-1,2-oxazole
CID 12330185
5-(2-Hydroxyethyl)-3,4-bis(4-methoxyphenyl)isoxazole
CID 18998922
4-(3-Methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 91048889
2,2-Dideuterio-3-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]phenyl]propanoic acid
CID 145970728
5-Ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 153320917
5-(Fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 153320918
4-(4-Methoxyphenyl)-3-phenylisoxazole
CID 14638136
4-(3,5-Dimethoxyphenyl)-3-(4-methoxyphenyl)isoxazole
CID 145916470

Frequently Asked Questions

What is the IUPAC name of 5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole (CID 144673436) is 5-(bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole is COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CBr.
What is the InChIKey of 5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is ZGXAXMFPKWHSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c1-21-14-7-3-12(4-8-14)17-16(11-19)23-20-18(17)13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3.
What are the key properties of 5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 374.20 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 144673436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).