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

C18H16N4OS — CID 3233613

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(NCc2cccs2)c2ccccc2n1
InChIInChI=1S/C18H16N4OS/c1-11-16(12(2)23-22-11)18-20-15-8-4-3-7-14(15)17(21-18)19-10-13-6-5-9-24-13/h3-9H,10H2,1-2H3,(H,19,20,21)
InChIKeyODJJNYYCJJDWAU-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.58
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 3233613) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID3233613
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1nc(NCc2cccs2)c2ccccc2n1
InChIInChI=1S/C18H16N4OS/c1-11-16(12(2)23-22-11)18-20-15-8-4-3-7-14(15)17(21-18)19-10-13-6-5-9-24-13/h3-9H,10H2,1-2H3,(H,19,20,21)
InChIKeyODJJNYYCJJDWAU-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

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

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Related Compounds

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 129166094
N-(5-Methyl-isoxazol-3-yl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 653552
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 2567379
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2576482
3,5-Dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole
CID 3233975
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine
CID 3234198
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3234353
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine
CID 3234437
6-(3,5-dimethylisoxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3234462
N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 3234558
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine
CID 3234735
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3234897

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 3233613) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is Cc1noc(C)c1-c1nc(NCc2cccs2)c2ccccc2n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is ODJJNYYCJJDWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-11-16(12(2)23-22-11)18-20-15-8-4-3-7-14(15)17(21-18)19-10-13-6-5-9-24-13/h3-9H,10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-(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 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3233613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).