5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole

C19H15N3O3 — CID 118905305

IUPAC5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole
SMILESCOc1ccc(OCc2ccc3oc(-c4cccnc4)nc3c2)nc1
InChIInChI=1S/C19H15N3O3/c1-23-15-5-7-18(21-11-15)24-12-13-4-6-17-16(9-13)22-19(25-17)14-3-2-8-20-10-14/h2-11H,12H2,1H3
InChIKeyGJXUMIICPRVTBV-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.87
Rot. Bonds5

About 5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole

5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole (PubChem CID 118905305) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole
PubChem CID118905305
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole
SMILESCOc1ccc(OCc2ccc3oc(-c4cccnc4)nc3c2)nc1
InChIInChI=1S/C19H15N3O3/c1-23-15-5-7-18(21-11-15)24-12-13-4-6-17-16(9-13)22-19(25-17)14-3-2-8-20-10-14/h2-11H,12H2,1H3
InChIKeyGJXUMIICPRVTBV-UHFFFAOYSA-N
XLogP3.87
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905169
5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469802
(2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol
CID 97132954
5-[[5-(ethoxymethoxy)-2-pyridinyl]methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 159177911
5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469818
5-bromo-2-pyridin-3-yl-1,3-benzoxazole;(4-methoxyphenyl)boronic acid;5-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-benzoxazole
CID 160671675
2-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetic acid
CID 82036585
2-[2-[2-[2-[2-[[6-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 177055878
(3E,5E)-6-methyl-7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)oxy]hepta-1,3,5-trien-3-ol
CID 145026011
2-pyridin-3-yl-1,3-benzoxazole-5-carbaldehyde
CID 82158868
1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine
CID 118905097
6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole
CID 71148352

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole?
The IUPAC name of 5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole (CID 118905305) is 5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole?
The canonical SMILES for 5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole is COc1ccc(OCc2ccc3oc(-c4cccnc4)nc3c2)nc1.
What is the InChIKey of 5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole?
The InChIKey is GJXUMIICPRVTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-23-15-5-7-18(21-11-15)24-12-13-4-6-17-16(9-13)22-19(25-17)14-3-2-8-20-10-14/h2-11H,12H2,1H3.
What are the key properties of 5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole?
5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole has a molecular weight of 333.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 118905305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).