3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole

C22H32N4O — CID 75552423

IUPAC3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCc1ccc(C2NNCC2CN2CCCC2c2cc(C(C)C)on2)cc1C
InChIInChI=1S/C22H32N4O/c1-14(2)21-11-19(25-27-21)20-6-5-9-26(20)13-18-12-23-24-22(18)17-8-7-15(3)16(4)10-17/h7-8,10-11,14,18,20,22-24H,5-6,9,12-13H2,1-4H3
InChIKeySHUYPPKONATNKA-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.02
Rot. Bonds5

About 3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole

3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (PubChem CID 75552423) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
PubChem CID75552423
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCc1ccc(C2NNCC2CN2CCCC2c2cc(C(C)C)on2)cc1C
InChIInChI=1S/C22H32N4O/c1-14(2)21-11-19(25-27-21)20-6-5-9-26(20)13-18-12-23-24-22(18)17-8-7-15(3)16(4)10-17/h7-8,10-11,14,18,20,22-24H,5-6,9,12-13H2,1-4H3
InChIKeySHUYPPKONATNKA-UHFFFAOYSA-N
XLogP4.02
TPSA53.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732217
3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732564
3-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732335
3-[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809393
3-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732456
3-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732388
5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99952578
5-propan-2-yl-3-[(2R)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 124751031
3-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732441
3-[(2R)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732440
3-[(2S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732152
5-methoxy-2-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732084

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (CID 75552423) is 3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is Cc1ccc(C2NNCC2CN2CCCC2c2cc(C(C)C)on2)cc1C.
What is the InChIKey of 3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The InChIKey is SHUYPPKONATNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-14(2)21-11-19(25-27-21)20-6-5-9-26(20)13-18-12-23-24-22(18)17-8-7-15(3)16(4)10-17/h7-8,10-11,14,18,20,22-24H,5-6,9,12-13H2,1-4H3.
What are the key properties of 3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole has a molecular weight of 368.53 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 75552423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).