1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone

C20H21FN4O2 — CID 136735759

IUPAC1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCc1noc(-c2cn[nH]c2[C@@H]2CCCN2C(=O)Cc2ccccc2F)c1C
InChIInChI=1S/C20H21FN4O2/c1-12-13(2)24-27-20(12)15-11-22-23-19(15)17-8-5-9-25(17)18(26)10-14-6-3-4-7-16(14)21/h3-4,6-7,11,17H,5,8-10H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyJTVLPKCYHRZRNU-KRWDZBQOSA-N
MW368.41 g/mol
LogP3.73
Rot. Bonds4

About 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone

1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 136735759) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID136735759
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCc1noc(-c2cn[nH]c2[C@@H]2CCCN2C(=O)Cc2ccccc2F)c1C
InChIInChI=1S/C20H21FN4O2/c1-12-13(2)24-27-20(12)15-11-22-23-19(15)17-8-5-9-25(17)18(26)10-14-6-3-4-7-16(14)21/h3-4,6-7,11,17H,5,8-10H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyJTVLPKCYHRZRNU-KRWDZBQOSA-N
XLogP3.73
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 136735701
1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 136766052
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 136860857
1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 136763173
[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 136766135
2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
2-[(2R)-1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135963772
3-(2-fluorophenyl)-1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124950069
2-(azepan-1-yl)-1-[(2R)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 95840241
2-(2-fluorophenyl)-1-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92893784
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
5-[5-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
CID 136766152

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone (CID 136735759) is 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone is Cc1noc(-c2cn[nH]c2[C@@H]2CCCN2C(=O)Cc2ccccc2F)c1C.
What is the InChIKey of 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is JTVLPKCYHRZRNU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12-13(2)24-27-20(12)15-11-22-23-19(15)17-8-5-9-25(17)18(26)10-14-6-3-4-7-16(14)21/h3-4,6-7,11,17H,5,8-10H2,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 368.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 136735759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).