5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole

C22H23N5OS — CID 42118433

IUPAC5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCN(c4ncnc5ccccc45)CC3)c(C)o2)s1
InChIInChI=1S/C22H23N5OS/c1-15-7-8-20(29-15)22-25-19(16(2)28-22)13-26-9-11-27(12-10-26)21-17-5-3-4-6-18(17)23-14-24-21/h3-8,14H,9-13H2,1-2H3
InChIKeyWDEUKAFGHAIEOJ-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.29
Rot. Bonds4

About 5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole

5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 42118433) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID42118433
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCN(c4ncnc5ccccc45)CC3)c(C)o2)s1
InChIInChI=1S/C22H23N5OS/c1-15-7-8-20(29-15)22-25-19(16(2)28-22)13-26-9-11-27(12-10-26)21-17-5-3-4-6-18(17)23-14-24-21/h3-8,14H,9-13H2,1-2H3
InChIKeyWDEUKAFGHAIEOJ-UHFFFAOYSA-N
XLogP4.29
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 42118433) is 5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole is Cc1ccc(-c2nc(CN3CCN(c4ncnc5ccccc45)CC3)c(C)o2)s1.
What is the InChIKey of 5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is WDEUKAFGHAIEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-15-7-8-20(29-15)22-25-19(16(2)28-22)13-26-9-11-27(12-10-26)21-17-5-3-4-6-18(17)23-14-24-21/h3-8,14H,9-13H2,1-2H3.
What are the key properties of 5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole?
5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 405.53 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylthiophen-2-yl)-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 42118433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).