5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole

C19H17N3O — CID 44554137

IUPAC5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cn2c(-c3cccnc3)c(C)c3ccccc32)no1
InChIInChI=1S/C19H17N3O/c1-13-10-16(21-23-13)12-22-18-8-4-3-7-17(18)14(2)19(22)15-6-5-9-20-11-15/h3-11H,12H2,1-2H3
InChIKeyQEVDWBDUXBPORM-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.36
Rot. Bonds3

About 5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole

5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole (PubChem CID 44554137) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole
PubChem CID44554137
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cn2c(-c3cccnc3)c(C)c3ccccc32)no1
InChIInChI=1S/C19H17N3O/c1-13-10-16(21-23-13)12-22-18-8-4-3-7-17(18)14(2)19(22)15-6-5-9-20-11-15/h3-11H,12H2,1-2H3
InChIKeyQEVDWBDUXBPORM-UHFFFAOYSA-N
XLogP4.36
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole (CID 44554137) is 5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole is Cc1cc(Cn2c(-c3cccnc3)c(C)c3ccccc32)no1.
What is the InChIKey of 5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole?
The InChIKey is QEVDWBDUXBPORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-10-16(21-23-13)12-22-18-8-4-3-7-17(18)14(2)19(22)15-6-5-9-20-11-15/h3-11H,12H2,1-2H3.
What are the key properties of 5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole?
5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole has a molecular weight of 303.37 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 44554137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).