2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole

C18H14BrN3O2 — CID 10150536

IUPAC2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole
SMILESCOc1cc(-c2nc3ccccc3o2)ccc1Cn1cnc(Br)c1
InChIInChI=1S/C18H14BrN3O2/c1-23-16-8-12(18-21-14-4-2-3-5-15(14)24-18)6-7-13(16)9-22-10-17(19)20-11-22/h2-8,10-11H,9H2,1H3
InChIKeyFOAVVWNREWEUEI-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.51
Rot. Bonds4

About 2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole

2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole (PubChem CID 10150536) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole
PubChem CID10150536
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole
SMILESCOc1cc(-c2nc3ccccc3o2)ccc1Cn1cnc(Br)c1
InChIInChI=1S/C18H14BrN3O2/c1-23-16-8-12(18-21-14-4-2-3-5-15(14)24-18)6-7-13(16)9-22-10-17(19)20-11-22/h2-8,10-11H,9H2,1H3
InChIKeyFOAVVWNREWEUEI-UHFFFAOYSA-N
XLogP4.51
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]methyl]imidazole-4-carboxylate
CID 10215632
2-[3-methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole
CID 10236648
2-[4-[2-(4H-azepin-5-yl)ethyl]-3-methoxyphenyl]-1,3-benzoxazole
CID 142880500
N'-[amino(methyl)amino]-2-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]ethanimidamide
CID 142250608
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide
CID 168653266
6-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridin-3-amine
CID 10149716
2-(3-isocyanato-4-methoxyphenyl)-1,3-benzoxazole
CID 169354003
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-(3-bromo-4-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole
CID 91674889
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]iminomethyl]-4-bromophenol
CID 135610237
2-(3,5-diiodo-4-methoxyphenyl)-1,3-benzoxazole
CID 24773372

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole (CID 10150536) is 2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole is COc1cc(-c2nc3ccccc3o2)ccc1Cn1cnc(Br)c1.
What is the InChIKey of 2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole?
The InChIKey is FOAVVWNREWEUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c1-23-16-8-12(18-21-14-4-2-3-5-15(14)24-18)6-7-13(16)9-22-10-17(19)20-11-22/h2-8,10-11H,9H2,1H3.
What are the key properties of 2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole?
2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole has a molecular weight of 384.23 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromoimidazol-1-yl)methyl]-3-methoxyphenyl]-1,3-benzoxazole is sourced from PubChem (CID 10150536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).