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

C24H24FN5O2 — CID 42358517

IUPAC2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCN(c4ncc5ccccc5n4)CC3)c(C)o2)c(F)c1
InChIInChI=1S/C24H24FN5O2/c1-16-22(27-23(32-16)19-8-7-18(31-2)13-20(19)25)15-29-9-11-30(12-10-29)24-26-14-17-5-3-4-6-21(17)28-24/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyFNDVQXCWELPQEE-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.06
Rot. Bonds5

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

2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 42358517) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID42358517
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCN(c4ncc5ccccc5n4)CC3)c(C)o2)c(F)c1
InChIInChI=1S/C24H24FN5O2/c1-16-22(27-23(32-16)19-8-7-18(31-2)13-20(19)25)15-29-9-11-30(12-10-29)24-26-14-17-5-3-4-6-21(17)28-24/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyFNDVQXCWELPQEE-UHFFFAOYSA-N
XLogP4.06
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole with MolForge

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Related Compounds

4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 56870077
1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56743698
4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 56756467
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42462882
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 42455200
(2R)-2-ethyl-4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 95550186
3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole
CID 25384324
2-(4-methoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3-oxazole
CID 25449704
2-[(3S)-1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]propan-2-ol
CID 95561078
[4-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 26396934
(3S,4S)-1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 56869789
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56754344

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 42358517) is 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is COc1ccc(-c2nc(CN3CCN(c4ncc5ccccc5n4)CC3)c(C)o2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is FNDVQXCWELPQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-16-22(27-23(32-16)19-8-7-18(31-2)13-20(19)25)15-29-9-11-30(12-10-29)24-26-14-17-5-3-4-6-21(17)28-24/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 433.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 42358517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).