2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde

C15H10BrNO3 — CID 86041011

IUPAC2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2cc(Br)no2)ccc2ccccc12
InChIInChI=1S/C15H10BrNO3/c16-15-7-11(20-17-15)9-19-14-6-5-10-3-1-2-4-12(10)13(14)8-18/h1-8H,9H2
InChIKeyBVANYOXHNMTYCB-UHFFFAOYSA-N
MW332.15 g/mol
LogP3.98
Rot. Bonds4

About 2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde

2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde (PubChem CID 86041011) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde
PubChem CID86041011
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2cc(Br)no2)ccc2ccccc12
InChIInChI=1S/C15H10BrNO3/c16-15-7-11(20-17-15)9-19-14-6-5-10-3-1-2-4-12(10)13(14)8-18/h1-8H,9H2
InChIKeyBVANYOXHNMTYCB-UHFFFAOYSA-N
XLogP3.98
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate
CID 78878639
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417349
2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde
CID 43505591
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43388676
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 27919131
4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide
CID 134036287
4-(1-formylnaphthalen-2-yl)oxybutanenitrile
CID 43389591
2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417346
2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde
CID 107043143
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde
CID 882524

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde (CID 86041011) is 2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde is O=Cc1c(OCc2cc(Br)no2)ccc2ccccc12.
What is the InChIKey of 2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde?
The InChIKey is BVANYOXHNMTYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c16-15-7-11(20-17-15)9-19-14-6-5-10-3-1-2-4-12(10)13(14)8-18/h1-8H,9H2.
What are the key properties of 2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde?
2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde has a molecular weight of 332.15 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 86041011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).