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

C21H26N4O2 — CID 99822044

IUPAC3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCOc1ccccc1C[C@H]1CCCN1Cc1cc(-c2cnn(C)c2C)no1
InChIInChI=1S/C21H26N4O2/c1-15-19(13-22-24(15)2)20-12-18(27-23-20)14-25-10-6-8-17(25)11-16-7-4-5-9-21(16)26-3/h4-5,7,9,12-13,17H,6,8,10-11,14H2,1-3H3/t17-/m1/s1
InChIKeyXNUZUMHGQKCMTR-QGZVFWFLSA-N
MW366.47 g/mol
LogP3.60
Rot. Bonds6

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

3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole (PubChem CID 99822044) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole
PubChem CID99822044
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCOc1ccccc1C[C@H]1CCCN1Cc1cc(-c2cnn(C)c2C)no1
InChIInChI=1S/C21H26N4O2/c1-15-19(13-22-24(15)2)20-12-18(27-23-20)14-25-10-6-8-17(25)11-16-7-4-5-9-21(16)26-3/h4-5,7,9,12-13,17H,6,8,10-11,14H2,1-3H3/t17-/m1/s1
InChIKeyXNUZUMHGQKCMTR-QGZVFWFLSA-N
XLogP3.60
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide
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3-(2-methoxyphenyl)-5-[[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
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3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 95610205
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 136579748
N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline
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3'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 139005419
5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole
CID 70756651
2-(2,2-difluoroethoxy)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-4-fluoroaniline
CID 126774313
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole (CID 99822044) is 3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole is COc1ccccc1C[C@H]1CCCN1Cc1cc(-c2cnn(C)c2C)no1.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is XNUZUMHGQKCMTR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-19(13-22-24(15)2)20-12-18(27-23-20)14-25-10-6-8-17(25)11-16-7-4-5-9-21(16)26-3/h4-5,7,9,12-13,17H,6,8,10-11,14H2,1-3H3/t17-/m1/s1.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole?
3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 366.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-5-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 99822044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).