3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole

C17H14N4O — CID 22477524

IUPAC3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C17H14N4O/c1-10-16(11(2)22-21-10)13-5-3-12(4-6-13)14-9-15-17(20-14)19-8-7-18-15/h3-9H,1-2H3,(H,19,20)
InChIKeySSYNYIMWLZUVAP-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.90
Rot. Bonds2

About 3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole

3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole (PubChem CID 22477524) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole
PubChem CID22477524
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C17H14N4O/c1-10-16(11(2)22-21-10)13-5-3-12(4-6-13)14-9-15-17(20-14)19-8-7-18-15/h3-9H,1-2H3,(H,19,20)
InChIKeySSYNYIMWLZUVAP-UHFFFAOYSA-N
XLogP3.90
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 135566739
CID 135566739
CID 135417206
CID 135417206
CID 135452014
CID 135452014
CID 166632650
CID 166632650
CID 2812530
CID 2812530
CID 2813808
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CID 25151778
CID 25151778

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole (CID 22477524) is 3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole is Cc1noc(C)c1-c1ccc(-c2cc3nccnc3[nH]2)cc1.
What is the InChIKey of 3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole?
The InChIKey is SSYNYIMWLZUVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-10-16(11(2)22-21-10)13-5-3-12(4-6-13)14-9-15-17(20-14)19-8-7-18-15/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole?
3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole has a molecular weight of 290.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]-1,2-oxazole is sourced from PubChem (CID 22477524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).