[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

C16H19N5O2 — CID 50961298

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCc1noc(C)c1C1CCCN1C(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C16H19N5O2/c1-10-14(11(2)23-18-10)13-5-4-6-20(13)16(22)12-9-17-21-8-7-19(3)15(12)21/h7-9,13H,4-6H2,1-3H3
InChIKeyPOMGMSRLOVJBAM-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.25
Rot. Bonds2

About [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (PubChem CID 50961298) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
PubChem CID50961298
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCc1noc(C)c1C1CCCN1C(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C16H19N5O2/c1-10-14(11(2)23-18-10)13-5-4-6-20(13)16(22)12-9-17-21-8-7-19(3)15(12)21/h7-9,13H,4-6H2,1-3H3
InChIKeyPOMGMSRLOVJBAM-UHFFFAOYSA-N
XLogP2.25
TPSA68.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-Methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 50809145
1-Methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]urea
CID 172625128
N-[(3-isopropylisoxazol-5-yl)methyl]-N,1-dimethyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50953672
3-{[2-(3,5-Dimethylisoxazol-4-yl)pyrrolidin-1-yl]methyl}-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 56708352
N-(2-(1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-5-cyclopropylisoxazole-3-carboxamide
CID 76148287
[3-Hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 168452808
1,4-Ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole
CID 160718147
4,5-Dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole
CID 161061524
3-(3-Tert-butyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
CID 172625015
3-(3-Cyclopropyl-1,2-oxazol-5-yl)-1-methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]urea
CID 172625025
N-[(5-isobutylisoxazol-3-yl)methyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50956421
7-{[2-(5-isopropylisoxazol-3-yl)pyrrolidin-1-yl]carbonyl}-1-methyl-1H-imidazo[1,2-b]pyrazole
CID 50977393

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (CID 50961298) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is Cc1noc(C)c1C1CCCN1C(=O)c1cnn2ccn(C)c12.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The InChIKey is POMGMSRLOVJBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-14(11(2)23-18-10)13-5-4-6-20(13)16(22)12-9-17-21-8-7-19(3)15(12)21/h7-9,13H,4-6H2,1-3H3.
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is sourced from PubChem (CID 50961298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).