5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole

C19H20N4O2 — CID 124983034

IUPAC5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole
SMILESCOc1cccc(Cc2cnc([C@@H]3CCN(c4ccncn4)C3)o2)c1
InChIInChI=1S/C19H20N4O2/c1-24-16-4-2-3-14(9-16)10-17-11-21-19(25-17)15-6-8-23(12-15)18-5-7-20-13-22-18/h2-5,7,9,11,13,15H,6,8,10,12H2,1H3/t15-/m1/s1
InChIKeyNBEGAANXZWPZMF-OAHLLOKOSA-N
MW336.40 g/mol
LogP3.06
Rot. Bonds5

About 5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole

5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole (PubChem CID 124983034) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole
PubChem CID124983034
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole
SMILESCOc1cccc(Cc2cnc([C@@H]3CCN(c4ccncn4)C3)o2)c1
InChIInChI=1S/C19H20N4O2/c1-24-16-4-2-3-14(9-16)10-17-11-21-19(25-17)15-6-8-23(12-15)18-5-7-20-13-22-18/h2-5,7,9,11,13,15H,6,8,10,12H2,1H3/t15-/m1/s1
InChIKeyNBEGAANXZWPZMF-OAHLLOKOSA-N
XLogP3.06
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole
CID 124989778
[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124950186
[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110099337
5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole
CID 110099284
5-[(3-chlorophenyl)methyl]-2-[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole
CID 124990277
2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119432
[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 125022735
[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 124995619
N-[2-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110119355
[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 110120019
[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124949968
2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 132779828

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole (CID 124983034) is 5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole is COc1cccc(Cc2cnc([C@@H]3CCN(c4ccncn4)C3)o2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole?
The InChIKey is NBEGAANXZWPZMF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-24-16-4-2-3-14(9-16)10-17-11-21-19(25-17)15-6-8-23(12-15)18-5-7-20-13-22-18/h2-5,7,9,11,13,15H,6,8,10,12H2,1H3/t15-/m1/s1.
What are the key properties of 5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole?
5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole has a molecular weight of 336.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 124983034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).