3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine

C17H20N4O — CID 121263829

IUPAC3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
SMILESCc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12
InChIInChI=1S/C17H20N4O/c1-10(2)6-14(18)17-20-11(3)13-7-12(4-5-15(13)21-17)16-8-19-9-22-16/h4-5,7-10,14H,6,18H2,1-3H3
InChIKeyCCLOQCQEJSONAI-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.64
Rot. Bonds4

About 3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine

3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine (PubChem CID 121263829) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
PubChem CID121263829
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
SMILESCc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12
InChIInChI=1S/C17H20N4O/c1-10(2)6-14(18)17-20-11(3)13-7-12(4-5-15(13)21-17)16-8-19-9-22-16/h4-5,7-10,14H,6,18H2,1-3H3
InChIKeyCCLOQCQEJSONAI-UHFFFAOYSA-N
XLogP3.64
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine (CID 121263829) is 3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine is Cc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12.
What is the InChIKey of 3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine?
The InChIKey is CCLOQCQEJSONAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10(2)6-14(18)17-20-11(3)13-7-12(4-5-15(13)21-17)16-8-19-9-22-16/h4-5,7-10,14H,6,18H2,1-3H3.
What are the key properties of 3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine?
3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine has a molecular weight of 296.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine is sourced from PubChem (CID 121263829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).