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

C22H28N4O — CID 92732217

IUPAC3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCc1ccc(-c2[nH]ncc2CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1C
InChIInChI=1S/C22H28N4O/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/h7-8,10-12,14,20H,5-6,9,13H2,1-4H3,(H,23,24)/t20-/m1/s1
InChIKeyLDFCNIUBDOKACH-HXUWFJFHSA-N
MW364.49 g/mol
LogP5.14
Rot. Bonds5

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

3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (PubChem CID 92732217) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
PubChem CID92732217
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCc1ccc(-c2[nH]ncc2CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1C
InChIInChI=1S/C22H28N4O/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/h7-8,10-12,14,20H,5-6,9,13H2,1-4H3,(H,23,24)/t20-/m1/s1
InChIKeyLDFCNIUBDOKACH-HXUWFJFHSA-N
XLogP5.14
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732168
3-[(2S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732152
3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 47001732
3-methyl-5-[(2S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95997491
4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 50809425
3-[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809393
5-[(2S)-1-[[5-(3-bromophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 93070188
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-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 75552423
5-methoxy-2-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732084
4-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 50809588

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (CID 92732217) is 3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is Cc1ccc(-c2[nH]ncc2CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1C.
What is the InChIKey of 3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The InChIKey is LDFCNIUBDOKACH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N4O/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/h7-8,10-12,14,20H,5-6,9,13H2,1-4H3,(H,23,24)/t20-/m1/s1.
What are the key properties of 3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole has a molecular weight of 364.49 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 92732217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).