5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole

C19H16N4OS — CID 172862507

IUPAC5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
SMILESCc1ccc(-c2cnc(CSc3nc(C)nc4ncccc34)o2)cc1
InChIInChI=1S/C19H16N4OS/c1-12-5-7-14(8-6-12)16-10-21-17(24-16)11-25-19-15-4-3-9-20-18(15)22-13(2)23-19/h3-10H,11H2,1-2H3
InChIKeyZNVZZVDSDDUZJQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.59
Rot. Bonds4

About 5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole

5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 172862507) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID172862507
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
SMILESCc1ccc(-c2cnc(CSc3nc(C)nc4ncccc34)o2)cc1
InChIInChI=1S/C19H16N4OS/c1-12-5-7-14(8-6-12)16-10-21-17(24-16)11-25-19-15-4-3-9-20-18(15)22-13(2)23-19/h3-10H,11H2,1-2H3
InChIKeyZNVZZVDSDDUZJQ-UHFFFAOYSA-N
XLogP4.59
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole (CID 172862507) is 5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole is Cc1ccc(-c2cnc(CSc3nc(C)nc4ncccc34)o2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is ZNVZZVDSDDUZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12-5-7-14(8-6-12)16-10-21-17(24-16)11-25-19-15-4-3-9-20-18(15)22-13(2)23-19/h3-10H,11H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 348.43 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 172862507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).