3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole

C19H16N4O3 — CID 42630045

IUPAC3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)n1
InChIInChI=1S/C19H16N4O3/c1-12-16(18(23-25-12)14-6-4-3-5-7-14)11-24-17-9-8-15(10-20-17)19-21-13(2)22-26-19/h3-10H,11H2,1-2H3
InChIKeyCNCJROICTJZDEO-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.98
Rot. Bonds5

About 3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole

3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 42630045) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID42630045
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)n1
InChIInChI=1S/C19H16N4O3/c1-12-16(18(23-25-12)14-6-4-3-5-7-14)11-24-17-9-8-15(10-20-17)19-21-13(2)22-26-19/h3-10H,11H2,1-2H3
InChIKeyCNCJROICTJZDEO-UHFFFAOYSA-N
XLogP3.98
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole (CID 42630045) is 3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole is Cc1noc(-c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)n1.
What is the InChIKey of 3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is CNCJROICTJZDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-16(18(23-25-12)14-6-4-3-5-7-14)11-24-17-9-8-15(10-20-17)19-21-13(2)22-26-19/h3-10H,11H2,1-2H3.
What are the key properties of 3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 348.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42630045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).