(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C17H22N4O2 — CID 95605972

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)n1
InChIInChI=1S/C17H22N4O2/c1-11-8-12(2)21(18-11)10-14-4-3-7-20(14)17(22)15-9-16(23-19-15)13-5-6-13/h8-9,13-14H,3-7,10H2,1-2H3/t14-/m0/s1
InChIKeyNNRYVDQFPYYQOB-AWEZNQCLSA-N
MW314.39 g/mol
LogP2.67
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 95605972) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID95605972
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)n1
InChIInChI=1S/C17H22N4O2/c1-11-8-12(2)21(18-11)10-14-4-3-7-20(14)17(22)15-9-16(23-19-15)13-5-6-13/h8-9,13-14H,3-7,10H2,1-2H3/t14-/m0/s1
InChIKeyNNRYVDQFPYYQOB-AWEZNQCLSA-N
XLogP2.67
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56778956
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95602905
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 95605903
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605928
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95606018
(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56780200
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]acetic acid
CID 61011206
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56779497
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 95351418
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351800
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95342850

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 95605972) is (5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)n1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is NNRYVDQFPYYQOB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-8-12(2)21(18-11)10-14-4-3-7-20(14)17(22)15-9-16(23-19-15)13-5-6-13/h8-9,13-14H,3-7,10H2,1-2H3/t14-/m0/s1.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95605972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).