3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole

C15H15N3O2 — CID 2419721

IUPAC3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole
SMILESCc1nc(OCc2c(C)noc2C)c2ccccc2n1
InChIInChI=1S/C15H15N3O2/c1-9-13(10(2)20-18-9)8-19-15-12-6-4-5-7-14(12)16-11(3)17-15/h4-7H,8H2,1-3H3
InChIKeyVQCADNWCVUHCOR-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.12
Rot. Bonds3

About 3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole

3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole (PubChem CID 2419721) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole
PubChem CID2419721
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole
SMILESCc1nc(OCc2c(C)noc2C)c2ccccc2n1
InChIInChI=1S/C15H15N3O2/c1-9-13(10(2)20-18-9)8-19-15-12-6-4-5-7-14(12)16-11(3)17-15/h4-7H,8H2,1-3H3
InChIKeyVQCADNWCVUHCOR-UHFFFAOYSA-N
XLogP3.12
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole (CID 2419721) is 3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole is Cc1nc(OCc2c(C)noc2C)c2ccccc2n1.
What is the InChIKey of 3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole?
The InChIKey is VQCADNWCVUHCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-13(10(2)20-18-9)8-19-15-12-6-4-5-7-14(12)16-11(3)17-15/h4-7H,8H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole?
3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole has a molecular weight of 269.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 2419721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).