6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole

C15H12BrNO2 — CID 175639874

IUPAC6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(OCc3ccc(Br)cc3)cc2o1
InChIInChI=1S/C15H12BrNO2/c1-10-17-14-7-6-13(8-15(14)19-10)18-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyUAVZQFCOFJFSNY-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.48
Rot. Bonds3

About 6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole

6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole (PubChem CID 175639874) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole
PubChem CID175639874
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(OCc3ccc(Br)cc3)cc2o1
InChIInChI=1S/C15H12BrNO2/c1-10-17-14-7-6-13(8-15(14)19-10)18-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyUAVZQFCOFJFSNY-UHFFFAOYSA-N
XLogP4.48
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]ethoxy]aniline
CID 117098351
4-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxymethyl]aniline
CID 117098415
[4-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxymethyl]phenyl]methanamine
CID 117098416
3-[2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]ethoxy]aniline
CID 117098348
6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole
CID 163318913
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole
CID 154630496
4-(1,3-benzoxazol-6-yloxymethyl)aniline
CID 117098377
6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole
CID 84672190
3-[(4-bromophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 2891561
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60624731

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole?
The IUPAC name of 6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole (CID 175639874) is 6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole is Cc1nc2ccc(OCc3ccc(Br)cc3)cc2o1.
What is the InChIKey of 6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole?
The InChIKey is UAVZQFCOFJFSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-10-17-14-7-6-13(8-15(14)19-10)18-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole?
6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole has a molecular weight of 318.17 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 175639874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).