5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole

C14H13N3OS — CID 7627769

IUPAC5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1nc(SCc2cc(C)on2)c2ccccc2n1
InChIInChI=1S/C14H13N3OS/c1-9-7-11(17-18-9)8-19-14-12-5-3-4-6-13(12)15-10(2)16-14/h3-7H,8H2,1-2H3
InChIKeyRIYCAHVUGBWZDG-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.53
Rot. Bonds3

About 5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole

5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 7627769) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole
PubChem CID7627769
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1nc(SCc2cc(C)on2)c2ccccc2n1
InChIInChI=1S/C14H13N3OS/c1-9-7-11(17-18-9)8-19-14-12-5-3-4-6-13(12)15-10(2)16-14/h3-7H,8H2,1-2H3
InChIKeyRIYCAHVUGBWZDG-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 ≤ 500271.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole (CID 7627769) is 5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole is Cc1nc(SCc2cc(C)on2)c2ccccc2n1.
What is the InChIKey of 5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole?
The InChIKey is RIYCAHVUGBWZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-7-11(17-18-9)8-19-14-12-5-3-4-6-13(12)15-10(2)16-14/h3-7H,8H2,1-2H3.
What are the key properties of 5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole?
5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 271.35 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 5-methyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 7627769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).