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

C21H21N5O — CID 95218517

IUPAC3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2cnc3c(-c4ccccc4)cnn3c2)on1
InChIInChI=1S/C21H21N5O/c1-15-10-20(27-24-15)19-8-5-9-25(19)13-16-11-22-21-18(12-23-26(21)14-16)17-6-3-2-4-7-17/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3/t19-/m0/s1
InChIKeyOKSVSVRRIAOWNG-IBGZPJMESA-N
MW359.43 g/mol
LogP4.03
Rot. Bonds4

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

3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 95218517) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID95218517
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2cnc3c(-c4ccccc4)cnn3c2)on1
InChIInChI=1S/C21H21N5O/c1-15-10-20(27-24-15)19-8-5-9-25(19)13-16-11-22-21-18(12-23-26(21)14-16)17-6-3-2-4-7-17/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3/t19-/m0/s1
InChIKeyOKSVSVRRIAOWNG-IBGZPJMESA-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 95218517) is 3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is Cc1cc([C@@H]2CCCN2Cc2cnc3c(-c4ccccc4)cnn3c2)on1.
What is the InChIKey of 3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is OKSVSVRRIAOWNG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-10-20(27-24-15)19-8-5-9-25(19)13-16-11-22-21-18(12-23-26(21)14-16)17-6-3-2-4-7-17/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3/t19-/m0/s1.
What are the key properties of 3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
3-methyl-5-[(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 3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 95218517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).