5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole

C19H17N5O2 — CID 42630046

IUPAC5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole
SMILESCc1nc(-c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)n[nH]1
InChIInChI=1S/C19H17N5O2/c1-12-16(18(24-26-12)14-6-4-3-5-7-14)11-25-17-9-8-15(10-20-17)19-21-13(2)22-23-19/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyXVKZCVMFSSJNJN-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.72
Rot. Bonds5

About 5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole

5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole (PubChem CID 42630046) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole
PubChem CID42630046
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole
SMILESCc1nc(-c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)n[nH]1
InChIInChI=1S/C19H17N5O2/c1-12-16(18(24-26-12)14-6-4-3-5-7-14)11-25-17-9-8-15(10-20-17)19-21-13(2)22-23-19/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyXVKZCVMFSSJNJN-UHFFFAOYSA-N
XLogP3.72
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole (CID 42630046) is 5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole is Cc1nc(-c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)n[nH]1.
What is the InChIKey of 5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole?
The InChIKey is XVKZCVMFSSJNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-16(18(24-26-12)14-6-4-3-5-7-14)11-25-17-9-8-15(10-20-17)19-21-13(2)22-23-19/h3-10H,11H2,1-2H3,(H,21,22,23).
What are the key properties of 5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole?
5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole has a molecular weight of 347.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxymethyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 42630046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).