4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole

C14H10BrNO2 — CID 54910825

IUPAC4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole
SMILESBrc1c(OCc2cnoc2)ccc2ccccc12
InChIInChI=1S/C14H10BrNO2/c15-14-12-4-2-1-3-11(12)5-6-13(14)17-8-10-7-16-18-9-10/h1-7,9H,8H2
InChIKeyDVLGIXBTZPAOLP-UHFFFAOYSA-N
MW304.14 g/mol
LogP4.17
Rot. Bonds3

About 4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole

4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole (PubChem CID 54910825) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole
PubChem CID54910825
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole
SMILESBrc1c(OCc2cnoc2)ccc2ccccc12
InChIInChI=1S/C14H10BrNO2/c15-14-12-4-2-1-3-11(12)5-6-13(14)17-8-10-7-16-18-9-10/h1-7,9H,8H2
InChIKeyDVLGIXBTZPAOLP-UHFFFAOYSA-N
XLogP4.17
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromophenoxy)methyl]-1,2-oxazole
CID 60871511
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine
CID 63480626
1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60623254
1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid
CID 61223878
(1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol
CID 78934316
1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene
CID 78909521
1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
CID 60623253
4-[(2-ethylphenoxy)methyl]-1,2-oxazole
CID 61223505
3-[(1-bromonaphthalen-2-yl)oxymethyl]benzonitrile
CID 60623214
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloroaniline
CID 63460675
2-[(1-bromonaphthalen-2-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 1184382
1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
CID 102526122

Frequently Asked Questions

What is the IUPAC name of 4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole (CID 54910825) is 4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole is Brc1c(OCc2cnoc2)ccc2ccccc12.
What is the InChIKey of 4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole?
The InChIKey is DVLGIXBTZPAOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-14-12-4-2-1-3-11(12)5-6-13(14)17-8-10-7-16-18-9-10/h1-7,9H,8H2.
What are the key properties of 4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole?
4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole has a molecular weight of 304.14 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 54910825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).