6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde

C14H10N2O3 — CID 122447531

IUPAC6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde
SMILESCOc1cncc(-c2ccc3nc(C=O)oc3c2)c1
InChIInChI=1S/C14H10N2O3/c1-18-11-4-10(6-15-7-11)9-2-3-12-13(5-9)19-14(8-17)16-12/h2-8H,1H3
InChIKeyDLUAFGRQVMYJNZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.71
Rot. Bonds3

About 6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde

6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde (PubChem CID 122447531) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde
PubChem CID122447531
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde
SMILESCOc1cncc(-c2ccc3nc(C=O)oc3c2)c1
InChIInChI=1S/C14H10N2O3/c1-18-11-4-10(6-15-7-11)9-2-3-12-13(5-9)19-14(8-17)16-12/h2-8H,1H3
InChIKeyDLUAFGRQVMYJNZ-UHFFFAOYSA-N
XLogP2.71
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine
CID 122495018
6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde
CID 122447509
6-(5-methoxy-3-pyridinyl)-2-(3H-pyrrol-2-yl)-1,3-benzoxazole
CID 147844868
2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
CID 122447548
5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87479880
6-hydroxy-1,3-benzoxazole-2-carbaldehyde
CID 82415216
6-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 130870252
3-(5-methoxy-3-pyridinyl)furan-2-carbaldehyde
CID 106886591
2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499
2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole
CID 122447520
2-(3H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)quinoline
CID 147507303
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde (CID 122447531) is 6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde is COc1cncc(-c2ccc3nc(C=O)oc3c2)c1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde?
The InChIKey is DLUAFGRQVMYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-18-11-4-10(6-15-7-11)9-2-3-12-13(5-9)19-14(8-17)16-12/h2-8H,1H3.
What are the key properties of 6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde?
6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde has a molecular weight of 254.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde is sourced from PubChem (CID 122447531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).