3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole

C14H13N3OS — CID 2410091

IUPAC3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSc1ncnc2ccccc12
InChIInChI=1S/C14H13N3OS/c1-9-12(10(2)18-17-9)7-19-14-11-5-3-4-6-13(11)15-8-16-14/h3-6,8H,7H2,1-2H3
InChIKeyPVIGONNFUORDSF-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.53
Rot. Bonds3

About 3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole

3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 2410091) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole
PubChem CID2410091
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSc1ncnc2ccccc12
InChIInChI=1S/C14H13N3OS/c1-9-12(10(2)18-17-9)7-19-14-11-5-3-4-6-13(11)15-8-16-14/h3-6,8H,7H2,1-2H3
InChIKeyPVIGONNFUORDSF-UHFFFAOYSA-N
XLogP3.53
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-4-[(4-methylbenzyl)thio]isoxazolo[5,4-d]pyrimidine
CID 2745825
3-Methyl-4-{[4-(trifluoromethyl)benzyl]thio}isoxazolo[5,4-d]pyrimidine
CID 2745826
3,5-Dimethyl-4-((quinolin-2-ylthio)methyl)isoxazole
CID 755902
3-Methyl-4-[(4-methylphenyl)sulfanyl]isoxazolo[5,4-d]pyrimidine
CID 1477398
N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2607885
1-[2,5-Dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2608014
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine
CID 3234198
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3233613
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylquinazolin-4-amine
CID 3232643
3-Methyl-4-[(2-methylphenyl)sulfanyl]isoxazolo[5,4-d]pyrimidine
CID 4594204
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine
CID 47184743
4-(((5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)methyl)-3,5-dimethylisoxazole
CID 1278629

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole (CID 2410091) is 3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole is Cc1noc(C)c1CSc1ncnc2ccccc12.
What is the InChIKey of 3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is PVIGONNFUORDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-12(10(2)18-17-9)7-19-14-11-5-3-4-6-13(11)15-8-16-14/h3-6,8H,7H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole?
3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 271.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 2410091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).