(3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C19H21N5O2 — CID 95221174

IUPAC(3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1noc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C19H21N5O2/c1-12(2)17-20-18(26-23-17)16-9-6-10-24(16)19(25)15-11-14(21-22-15)13-7-4-3-5-8-13/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyKOUWJEKMDWVREM-INIZCTEOSA-N
MW351.41 g/mol
LogP3.56
Rot. Bonds4

About (3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 95221174) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID95221174
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1noc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C19H21N5O2/c1-12(2)17-20-18(26-23-17)16-9-6-10-24(16)19(25)15-11-14(21-22-15)13-7-4-3-5-8-13/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyKOUWJEKMDWVREM-INIZCTEOSA-N
XLogP3.56
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 97105096
1H-indazol-3-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70728158
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[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
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CID 70740975
[3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70744122
[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 131901774
[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 91774047
(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 95200637
[4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97138705
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97130670
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70743968

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 95221174) is (3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is CC(C)c1noc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)n[nH]2)n1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KOUWJEKMDWVREM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12(2)17-20-18(26-23-17)16-9-6-10-24(16)19(25)15-11-14(21-22-15)13-7-4-3-5-8-13/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95221174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).