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

C19H18N4OS — CID 16759572

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine
SMILESCc1csc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c1
InChIInChI=1S/C19H18N4OS/c1-11-6-15(25-9-11)8-20-19-16-7-14(4-5-17(16)21-10-22-19)18-12(2)23-24-13(18)3/h4-7,9-10H,8H2,1-3H3,(H,20,21,22)
InChIKeyOAZQUTMJTTUDBQ-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.88
Rot. Bonds4

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine (PubChem CID 16759572) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine
PubChem CID16759572
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine
SMILESCc1csc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c1
InChIInChI=1S/C19H18N4OS/c1-11-6-15(25-9-11)8-20-19-16-7-14(4-5-17(16)21-10-22-19)18-12(2)23-24-13(18)3/h4-7,9-10H,8H2,1-3H3,(H,20,21,22)
InChIKeyOAZQUTMJTTUDBQ-UHFFFAOYSA-N
XLogP4.88
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.88
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-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine (CID 16759572) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine is Cc1csc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The InChIKey is OAZQUTMJTTUDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-11-6-15(25-9-11)8-20-19-16-7-14(4-5-17(16)21-10-22-19)18-12(2)23-24-13(18)3/h4-7,9-10H,8H2,1-3H3,(H,20,21,22).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine has a molecular weight of 350.45 g/mol, XLogP of 4.88, 4 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-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 16759572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).