5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole

C18H21N3O2 — CID 121255881

IUPAC5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
SMILESCOc1cc2nc(CCC(C)C)nc(C)c2cc1-c1cnco1
InChIInChI=1S/C18H21N3O2/c1-11(2)5-6-18-20-12(3)13-7-14(17-9-19-10-23-17)16(22-4)8-15(13)21-18/h7-11H,5-6H2,1-4H3
InChIKeyNDJPKRZTVKLDFS-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.19
Rot. Bonds5

About 5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole

5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole (PubChem CID 121255881) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
PubChem CID121255881
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
SMILESCOc1cc2nc(CCC(C)C)nc(C)c2cc1-c1cnco1
InChIInChI=1S/C18H21N3O2/c1-11(2)5-6-18-20-12(3)13-7-14(17-9-19-10-23-17)16(22-4)8-15(13)21-18/h7-11H,5-6H2,1-4H3
InChIKeyNDJPKRZTVKLDFS-UHFFFAOYSA-N
XLogP4.19
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
The IUPAC name of 5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole (CID 121255881) is 5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole.
What is the SMILES notation for 5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
The canonical SMILES for 5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole is COc1cc2nc(CCC(C)C)nc(C)c2cc1-c1cnco1.
What is the InChIKey of 5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
The InChIKey is NDJPKRZTVKLDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11(2)5-6-18-20-12(3)13-7-14(17-9-19-10-23-17)16(22-4)8-15(13)21-18/h7-11H,5-6H2,1-4H3.
What are the key properties of 5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole has a molecular weight of 311.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole is sourced from PubChem (CID 121255881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).