4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole

C17H20N6O — CID 110095334

IUPAC4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cncc(C2CCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C17H20N6O/c1-11-17(12(2)24-22-11)14-9-18-8-13(21-14)15-4-3-7-23(15)10-16-19-5-6-20-16/h5-6,8-9,15H,3-4,7,10H2,1-2H3,(H,19,20)
InChIKeyIYQKSVFDIIUJJA-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.81
Rot. Bonds4

About 4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole

4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 110095334) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID110095334
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cncc(C2CCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C17H20N6O/c1-11-17(12(2)24-22-11)14-9-18-8-13(21-14)15-4-3-7-23(15)10-16-19-5-6-20-16/h5-6,8-9,15H,3-4,7,10H2,1-2H3,(H,19,20)
InChIKeyIYQKSVFDIIUJJA-UHFFFAOYSA-N
XLogP2.81
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 110095334) is 4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cncc(C2CCCN2Cc2ncc[nH]2)n1.
What is the InChIKey of 4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is IYQKSVFDIIUJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-17(12(2)24-22-11)14-9-18-8-13(21-14)15-4-3-7-23(15)10-16-19-5-6-20-16/h5-6,8-9,15H,3-4,7,10H2,1-2H3,(H,19,20).
What are the key properties of 4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 324.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 110095334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).