(E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine

C16H15N3O2 — CID 122495018

IUPAC(E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine
SMILESCN/C=C/c1nc2ccc(-c3cncc(OC)c3)cc2o1
InChIInChI=1S/C16H15N3O2/c1-17-6-5-16-19-14-4-3-11(8-15(14)21-16)12-7-13(20-2)10-18-9-12/h3-10,17H,1-2H3/b6-5+
InChIKeyNGWCHNDQHIGKDN-AATRIKPKSA-N
MW281.32 g/mol
LogP3.09
Rot. Bonds4

About (E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine

(E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine (PubChem CID 122495018) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine.

Molecular Properties

Compound Name(E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine
PubChem CID122495018
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name(E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine
SMILESCN/C=C/c1nc2ccc(-c3cncc(OC)c3)cc2o1
InChIInChI=1S/C16H15N3O2/c1-17-6-5-16-19-14-4-3-11(8-15(14)21-16)12-7-13(20-2)10-18-9-12/h3-10,17H,1-2H3/b6-5+
InChIKeyNGWCHNDQHIGKDN-AATRIKPKSA-N
XLogP3.09
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde
CID 122447531
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
6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde
CID 122447509
4-[(E)-2-[6-(4-fluorobutoxy)-1,3-benzoxazol-2-yl]ethenyl]-N-methylaniline
CID 142842122
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083405
5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87479880
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083407
2-(3H-indol-2-yl)-6-(5-methoxy-3-pyridinyl)quinoline
CID 147507303
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864
3-(furan-2-yl)-5-methoxypyridine
CID 174589333

Frequently Asked Questions

What is the IUPAC name of (E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine?
The IUPAC name of (E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine (CID 122495018) is (E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine.
What is the SMILES notation for (E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine?
The canonical SMILES for (E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine is CN/C=C/c1nc2ccc(-c3cncc(OC)c3)cc2o1.
What is the InChIKey of (E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine?
The InChIKey is NGWCHNDQHIGKDN-AATRIKPKSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-17-6-5-16-19-14-4-3-11(8-15(14)21-16)12-7-13(20-2)10-18-9-12/h3-10,17H,1-2H3/b6-5+.
What are the key properties of (E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine?
(E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine has a molecular weight of 281.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine is sourced from PubChem (CID 122495018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).