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

C21H20N4O2 — CID 3233528

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3c(C)noc3C)cc12
InChIInChI=1S/C21H20N4O2/c1-13-20(14(2)27-25-13)15-8-9-18-17(10-15)21(24-12-23-18)22-11-16-6-4-5-7-19(16)26-3/h4-10,12H,11H2,1-3H3,(H,22,23,24)
InChIKeyJZOIHGXIINGYQR-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.52
Rot. Bonds5

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 3233528) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID3233528
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3c(C)noc3C)cc12
InChIInChI=1S/C21H20N4O2/c1-13-20(14(2)27-25-13)15-8-9-18-17(10-15)21(24-12-23-18)22-11-16-6-4-5-7-19(16)26-3/h4-10,12H,11H2,1-3H3,(H,22,23,24)
InChIKeyJZOIHGXIINGYQR-UHFFFAOYSA-N
XLogP4.52
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (CID 3233528) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccccc1CNc1ncnc2ccc(-c3c(C)noc3C)cc12.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is JZOIHGXIINGYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-20(14(2)27-25-13)15-8-9-18-17(10-15)21(24-12-23-18)22-11-16-6-4-5-7-19(16)26-3/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-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 360.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3233528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).