2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole

C22H18N6O2S — CID 140970516

IUPAC2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole
SMILESc1ccc(Cc2nc(Cc3ncco3)c(Cc3ccon3)c(Cc3nccs3)n2)nc1
InChIInChI=1S/C22H18N6O2S/c1-2-5-23-15(3-1)12-20-26-18(13-21-24-6-9-29-21)17(11-16-4-8-30-28-16)19(27-20)14-22-25-7-10-31-22/h1-10H,11-14H2
InChIKeyZCUWHQDYQOSSAB-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.67
Rot. Bonds8

About 2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole

2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole (PubChem CID 140970516) has the molecular formula C22H18N6O2S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole
PubChem CID140970516
Molecular FormulaC22H18N6O2S
Molecular Weight430.49 g/mol
Exact Mass430.12
IUPAC Name2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole
SMILESc1ccc(Cc2nc(Cc3ncco3)c(Cc3ccon3)c(Cc3nccs3)n2)nc1
InChIInChI=1S/C22H18N6O2S/c1-2-5-23-15(3-1)12-20-26-18(13-21-24-6-9-29-21)17(11-16-4-8-30-28-16)19(27-20)14-22-25-7-10-31-22/h1-10H,11-14H2
InChIKeyZCUWHQDYQOSSAB-UHFFFAOYSA-N
XLogP3.67
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-[(3-pyridin-3-ylisoxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 131908239
5-[4-[4-[5-[4-[3-[4-(1,3-Thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole
CID 54015368
4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole
CID 136502515
4-[5-(1,2-Oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-thiophen-2-ylimidazolidin-2-yl]oxadiazole
CID 141422634
2-Benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole
CID 158705459
Tert-butylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyltetrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole
CID 160545994
[6-(Furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18139021

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole (CID 140970516) is 2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole is c1ccc(Cc2nc(Cc3ncco3)c(Cc3ccon3)c(Cc3nccs3)n2)nc1.
What is the InChIKey of 2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole?
The InChIKey is ZCUWHQDYQOSSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2S/c1-2-5-23-15(3-1)12-20-26-18(13-21-24-6-9-29-21)17(11-16-4-8-30-28-16)19(27-20)14-22-25-7-10-31-22/h1-10H,11-14H2.
What are the key properties of 2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole?
2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole has a molecular weight of 430.49 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,2-oxazol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 140970516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).