[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone

C19H20N4O2 — CID 97142527

IUPAC[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCc1cc([C@@H]2CCCN2C(=O)c2cccc(Cn3cccn3)c2)no1
InChIInChI=1S/C19H20N4O2/c1-14-11-17(21-25-14)18-7-3-10-23(18)19(24)16-6-2-5-15(12-16)13-22-9-4-8-20-22/h2,4-6,8-9,11-12,18H,3,7,10,13H2,1H3/t18-/m0/s1
InChIKeyDIDSMMDRBPUXNO-SFHVURJKSA-N
MW336.40 g/mol
LogP3.21
Rot. Bonds4

About [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone

[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 97142527) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID97142527
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCc1cc([C@@H]2CCCN2C(=O)c2cccc(Cn3cccn3)c2)no1
InChIInChI=1S/C19H20N4O2/c1-14-11-17(21-25-14)18-7-3-10-23(18)19(24)16-6-2-5-15(12-16)13-22-9-4-8-20-22/h2,4-6,8-9,11-12,18H,3,7,10,13H2,1H3/t18-/m0/s1
InChIKeyDIDSMMDRBPUXNO-SFHVURJKSA-N
XLogP3.21
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone with MolForge

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Related Compounds

[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methanone
CID 70725176
[3-(pyrazol-1-ylmethyl)phenyl]-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 97123851
[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 97434812
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002544
[3-(pyrazol-1-ylmethyl)phenyl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 95128394
[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225920
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 94810217
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 95603844
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35762825

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone (CID 97142527) is [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone is Cc1cc([C@@H]2CCCN2C(=O)c2cccc(Cn3cccn3)c2)no1.
What is the InChIKey of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is DIDSMMDRBPUXNO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-11-17(21-25-14)18-7-3-10-23(18)19(24)16-6-2-5-15(12-16)13-22-9-4-8-20-22/h2,4-6,8-9,11-12,18H,3,7,10,13H2,1H3/t18-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 336.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 97142527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).