6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C18H16N4OS — CID 3234462

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2ncnc(NCc3cccs3)c2c1
InChIInChI=1S/C18H16N4OS/c1-11-17(12(2)23-22-11)13-5-6-16-15(8-13)18(21-10-20-16)19-9-14-4-3-7-24-14/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeySFOUDLQYBQLSRX-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.58
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 3234462) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID3234462
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2ncnc(NCc3cccs3)c2c1
InChIInChI=1S/C18H16N4OS/c1-11-17(12(2)23-22-11)13-5-6-16-15(8-13)18(21-10-20-16)19-9-14-4-3-7-24-14/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeySFOUDLQYBQLSRX-UHFFFAOYSA-N
XLogP4.58
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.58
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-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 3234462) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is Cc1noc(C)c1-c1ccc2ncnc(NCc3cccs3)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is SFOUDLQYBQLSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-11-17(12(2)23-22-11)13-5-6-16-15(8-13)18(21-10-20-16)19-9-14-4-3-7-24-14/h3-8,10H,9H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 336.42 g/mol, XLogP of 4.58, 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-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3234462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).