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

C21H20N4O — CID 3234644

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1cccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c1
InChIInChI=1S/C21H20N4O/c1-13-5-4-6-16(9-13)11-22-21-18-10-17(7-8-19(18)23-12-24-21)20-14(2)25-26-15(20)3/h4-10,12H,11H2,1-3H3,(H,22,23,24)
InChIKeyKBQBHEGYJAOYON-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.82
Rot. Bonds4

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine (PubChem CID 3234644) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine
PubChem CID3234644
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1cccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c1
InChIInChI=1S/C21H20N4O/c1-13-5-4-6-16(9-13)11-22-21-18-10-17(7-8-19(18)23-12-24-21)20-14(2)25-26-15(20)3/h4-10,12H,11H2,1-3H3,(H,22,23,24)
InChIKeyKBQBHEGYJAOYON-UHFFFAOYSA-N
XLogP4.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine (CID 3234644) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine is Cc1cccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The InChIKey is KBQBHEGYJAOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13-5-4-6-16(9-13)11-22-21-18-10-17(7-8-19(18)23-12-24-21)20-14(2)25-26-15(20)3/h4-10,12H,11H2,1-3H3,(H,22,23,24).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).