3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

C22H23N5O — CID 56718864

IUPAC3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C22H23N5O/c1-15-21(16(2)28-25-15)20-9-6-10-26(20)13-17-11-23-22-19(12-24-27(22)14-17)18-7-4-3-5-8-18/h3-5,7-8,11-12,14,20H,6,9-10,13H2,1-2H3
InChIKeyKCWGIDIQJWBOBL-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.34
Rot. Bonds4

About 3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 56718864) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID56718864
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C22H23N5O/c1-15-21(16(2)28-25-15)20-9-6-10-26(20)13-17-11-23-22-19(12-24-27(22)14-17)18-7-4-3-5-8-18/h3-5,7-8,11-12,14,20H,6,9-10,13H2,1-2H3
InChIKeyKCWGIDIQJWBOBL-UHFFFAOYSA-N
XLogP4.34
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 56718864) is 3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is Cc1noc(C)c1C1CCCN1Cc1cnc2c(-c3ccccc3)cnn2c1.
What is the InChIKey of 3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is KCWGIDIQJWBOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-21(16(2)28-25-15)20-9-6-10-26(20)13-17-11-23-22-19(12-24-27(22)14-17)18-7-4-3-5-8-18/h3-5,7-8,11-12,14,20H,6,9-10,13H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 373.46 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 56718864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).