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

C16H19N5O2 — CID 95126027

IUPAC[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=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/t13-/m0/s1
InChIKeyPOMGMSRLOVJBAM-ZDUSSCGKSA-N
MW313.36 g/mol
LogP2.25
Rot. Bonds2

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

[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (PubChem CID 95126027) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is [(2S)-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[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
PubChem CID95126027
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=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/t13-/m0/s1
InChIKeyPOMGMSRLOVJBAM-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S)-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 [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (CID 95126027) is [(2S)-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 [(2S)-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 [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cnn2ccn(C)c12.
What is the InChIKey of [(2S)-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-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
[(2S)-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 [(2S)-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 95126027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).