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

C19H15N3OS — CID 39529602

IUPAC3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(CSc3ncnc4ccccc34)on2)cc1
InChIInChI=1S/C19H15N3OS/c1-13-6-8-14(9-7-13)18-10-15(23-22-18)11-24-19-16-4-2-3-5-17(16)20-12-21-19/h2-10,12H,11H2,1H3
InChIKeyANGHVRXEHZIKKO-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.89
Rot. Bonds4

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

3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 39529602) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole
PubChem CID39529602
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(CSc3ncnc4ccccc34)on2)cc1
InChIInChI=1S/C19H15N3OS/c1-13-6-8-14(9-7-13)18-10-15(23-22-18)11-24-19-16-4-2-3-5-17(16)20-12-21-19/h2-10,12H,11H2,1H3
InChIKeyANGHVRXEHZIKKO-UHFFFAOYSA-N
XLogP4.89
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole (CID 39529602) is 3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole is Cc1ccc(-c2cc(CSc3ncnc4ccccc34)on2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is ANGHVRXEHZIKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-6-8-14(9-7-13)18-10-15(23-22-18)11-24-19-16-4-2-3-5-17(16)20-12-21-19/h2-10,12H,11H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole?
3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 333.42 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 39529602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).