5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

C21H21N5O — CID 95231041

IUPAC5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2cnc3c(-c4ccccc4)cnn3c2)no1
InChIInChI=1S/C21H21N5O/c1-15-10-19(24-27-15)20-8-5-9-25(20)13-16-11-22-21-18(12-23-26(21)14-16)17-6-3-2-4-7-17/h2-4,6-7,10-12,14,20H,5,8-9,13H2,1H3/t20-/m0/s1
InChIKeyXECKDPCOZSWQNA-FQEVSTJZSA-N
MW359.43 g/mol
LogP4.03
Rot. Bonds4

About 5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 95231041) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID95231041
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2cnc3c(-c4ccccc4)cnn3c2)no1
InChIInChI=1S/C21H21N5O/c1-15-10-19(24-27-15)20-8-5-9-25(20)13-16-11-22-21-18(12-23-26(21)14-16)17-6-3-2-4-7-17/h2-4,6-7,10-12,14,20H,5,8-9,13H2,1H3/t20-/m0/s1
InChIKeyXECKDPCOZSWQNA-FQEVSTJZSA-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

3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95218517
2-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732581
1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-ol
CID 56701762
3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732537
5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
CID 110225930
4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine
CID 56701359
4-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74249790
5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 77090261
5-methyl-3-[1-[(2-nitrophenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 42948127
3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732249
(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 94000959
2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 124839054

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 95231041) is 5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is Cc1cc([C@@H]2CCCN2Cc2cnc3c(-c4ccccc4)cnn3c2)no1.
What is the InChIKey of 5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is XECKDPCOZSWQNA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-10-19(24-27-15)20-8-5-9-25(20)13-16-11-22-21-18(12-23-26(21)14-16)17-6-3-2-4-7-17/h2-4,6-7,10-12,14,20H,5,8-9,13H2,1H3/t20-/m0/s1.
What are the key properties of 5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-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-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 95231041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).