[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone

C15H17N5O2 — CID 95463482

IUPAC[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)c1c[nH]n2ccnc12
InChIInChI=1S/C15H17N5O2/c1-9-13(10(2)22-18-9)12-4-3-6-19(12)15(21)11-8-17-20-7-5-16-14(11)20/h5,7-8,12,17H,3-4,6H2,1-2H3/t12-/m0/s1
InChIKeyOVLFXLJTXGWRFD-LBPRGKRZSA-N
MW299.33 g/mol
LogP2.24
Rot. Bonds2

About [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone

[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone (PubChem CID 95463482) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone
PubChem CID95463482
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)c1c[nH]n2ccnc12
InChIInChI=1S/C15H17N5O2/c1-9-13(10(2)22-18-9)12-4-3-6-19(12)15(21)11-8-17-20-7-5-16-14(11)20/h5,7-8,12,17H,3-4,6H2,1-2H3/t12-/m0/s1
InChIKeyOVLFXLJTXGWRFD-LBPRGKRZSA-N
XLogP2.24
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone
CID 95463485
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 95052032
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 50809277
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95722539
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 53009589
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 97152845
3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 126453365
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53017150
6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95222314
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893531
(2,6-dimethoxyphenyl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893574
[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone
CID 97280058

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone?
The IUPAC name of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone (CID 95463482) is [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone.
What is the SMILES notation for [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone?
The canonical SMILES for [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone is Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c[nH]n2ccnc12.
What is the InChIKey of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone?
The InChIKey is OVLFXLJTXGWRFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-13(10(2)22-18-9)12-4-3-6-19(12)15(21)11-8-17-20-7-5-16-14(11)20/h5,7-8,12,17H,3-4,6H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone?
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone has a molecular weight of 299.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone is sourced from PubChem (CID 95463482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).