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

C19H15N3OS — CID 7145308

IUPAC2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
SMILESCc1nc(SCc2ncc(-c3ccccc3)o2)c2ccccc2n1
InChIInChI=1S/C19H15N3OS/c1-13-21-16-10-6-5-9-15(16)19(22-13)24-12-18-20-11-17(23-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyWCBBBBGMDYYNMY-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.89
Rot. Bonds4

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

2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole (PubChem CID 7145308) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
PubChem CID7145308
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
SMILESCc1nc(SCc2ncc(-c3ccccc3)o2)c2ccccc2n1
InChIInChI=1S/C19H15N3OS/c1-13-21-16-10-6-5-9-15(16)19(22-13)24-12-18-20-11-17(23-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyWCBBBBGMDYYNMY-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 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole (CID 7145308) is 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole is Cc1nc(SCc2ncc(-c3ccccc3)o2)c2ccccc2n1.
What is the InChIKey of 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
The InChIKey is WCBBBBGMDYYNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-21-16-10-6-5-9-15(16)19(22-13)24-12-18-20-11-17(23-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3.
What are the key properties of 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-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 2-[(2-methylquinazolin-4-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 7145308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).