2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole

C21H24N4O2 — CID 11603019

IUPAC2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
SMILESCOc1ncc(-c2ccc(-c3nc(CCN4CCCC4)c(C)o3)cc2)cn1
InChIInChI=1S/C21H24N4O2/c1-15-19(9-12-25-10-3-4-11-25)24-20(27-15)17-7-5-16(6-8-17)18-13-22-21(26-2)23-14-18/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyGLPAGVRWLJFEQY-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.75
Rot. Bonds6

About 2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole

2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole (PubChem CID 11603019) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
PubChem CID11603019
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
SMILESCOc1ncc(-c2ccc(-c3nc(CCN4CCCC4)c(C)o3)cc2)cn1
InChIInChI=1S/C21H24N4O2/c1-15-19(9-12-25-10-3-4-11-25)24-20(27-15)17-7-5-16(6-8-17)18-13-22-21(26-2)23-14-18/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyGLPAGVRWLJFEQY-UHFFFAOYSA-N
XLogP3.75
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-[4-(4-methylsulfinylphenyl)phenyl]-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
CID 11668365
CID 163440617
CID 163440617
4-[2-(azetidin-1-yl)ethyl]-5-methyl-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
CID 58951484
5-methyl-4-(2-pyrrolidin-1-ylethyl)-2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole
CID 11676036
5-methyl-2-[4-(3-methylsulfonylphenyl)phenyl]-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
CID 11531657
2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole
CID 91188409
5-methyl-2-[4-(4-methylsulfonylphenyl)phenyl]-4-(3-pyrrolidin-1-ylpropyl)-1,3-oxazole;hydrochloride
CID 68704020
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyrimidin-5-ylphenyl)-1,3-oxazole
CID 58951472
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
CID 58951438
[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51426678
2-(4-methoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3-oxazole
CID 25449704

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
The IUPAC name of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole (CID 11603019) is 2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole.
What is the SMILES notation for 2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
The canonical SMILES for 2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole is COc1ncc(-c2ccc(-c3nc(CCN4CCCC4)c(C)o3)cc2)cn1.
What is the InChIKey of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
The InChIKey is GLPAGVRWLJFEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-19(9-12-25-10-3-4-11-25)24-20(27-15)17-7-5-16(6-8-17)18-13-22-21(26-2)23-14-18/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole has a molecular weight of 364.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxypyrimidin-5-yl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole is sourced from PubChem (CID 11603019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).