5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole

C15H13N5O — CID 174566748

IUPAC5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole
SMILESCc1cc(-n2cc(-c3ccnc4c3ccn4C)cn2)no1
InChIInChI=1S/C15H13N5O/c1-10-7-14(18-21-10)20-9-11(8-17-20)12-3-5-16-15-13(12)4-6-19(15)2/h3-9H,1-2H3
InChIKeyQFMSSBJHQNVGKL-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.72
Rot. Bonds2

About 5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole

5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole (PubChem CID 174566748) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole
PubChem CID174566748
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole
SMILESCc1cc(-n2cc(-c3ccnc4c3ccn4C)cn2)no1
InChIInChI=1S/C15H13N5O/c1-10-7-14(18-21-10)20-9-11(8-17-20)12-3-5-16-15-13(12)4-6-19(15)2/h3-9H,1-2H3
InChIKeyQFMSSBJHQNVGKL-UHFFFAOYSA-N
XLogP2.72
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole (CID 174566748) is 5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole is Cc1cc(-n2cc(-c3ccnc4c3ccn4C)cn2)no1.
What is the InChIKey of 5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole?
The InChIKey is QFMSSBJHQNVGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10-7-14(18-21-10)20-9-11(8-17-20)12-3-5-16-15-13(12)4-6-19(15)2/h3-9H,1-2H3.
What are the key properties of 5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole?
5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole has a molecular weight of 279.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole is sourced from PubChem (CID 174566748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).