5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

C21H21N5O — CID 77090261

IUPAC5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2c(-c3ccccc3)nc3ncccn23)no1
InChIInChI=1S/C21H21N5O/c1-15-13-17(24-27-15)18-9-5-11-25(18)14-19-20(16-7-3-2-4-8-16)23-21-22-10-6-12-26(19)21/h2-4,6-8,10,12-13,18H,5,9,11,14H2,1H3
InChIKeyKUKFDLSYISJXPW-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.03
Rot. Bonds4

About 5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 77090261) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID77090261
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2c(-c3ccccc3)nc3ncccn23)no1
InChIInChI=1S/C21H21N5O/c1-15-13-17(24-27-15)18-9-5-11-25(18)14-19-20(16-7-3-2-4-8-16)23-21-22-10-6-12-26(19)21/h2-4,6-8,10,12-13,18H,5,9,11,14H2,1H3
InChIKeyKUKFDLSYISJXPW-UHFFFAOYSA-N
XLogP4.03
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732581
1,5-dimethyl-4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-2-phenylpyrazol-3-one
CID 74243894
4-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74249790
4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]morpholine
CID 122183034
3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 99932525
5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95231041
3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 124757232
2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183047
(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 94000959
5-methyl-3-[1-[(2-nitrophenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 42948127
5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
CID 110225930
5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole
CID 39998429

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 77090261) is 5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is Cc1cc(C2CCCN2Cc2c(-c3ccccc3)nc3ncccn23)no1.
What is the InChIKey of 5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is KUKFDLSYISJXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-13-17(24-27-15)18-9-5-11-25(18)14-19-20(16-7-3-2-4-8-16)23-21-22-10-6-12-26(19)21/h2-4,6-8,10,12-13,18H,5,9,11,14H2,1H3.
What are the key properties of 5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 359.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 77090261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).