[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone

C18H14N4O2 — CID 86267304

IUPAC[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone
SMILESCc1noc(C)c1-c1cnc2[nH]cc(C(=O)c3cccnc3)c2c1
InChIInChI=1S/C18H14N4O2/c1-10-16(11(2)24-22-10)13-6-14-15(9-21-18(14)20-8-13)17(23)12-4-3-5-19-7-12/h3-9H,1-2H3,(H,20,21)
InChIKeyMYMQIZFVXZSSAJ-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.46
Rot. Bonds3

About [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone (PubChem CID 86267304) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone
PubChem CID86267304
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone
SMILESCc1noc(C)c1-c1cnc2[nH]cc(C(=O)c3cccnc3)c2c1
InChIInChI=1S/C18H14N4O2/c1-10-16(11(2)24-22-10)13-6-14-15(9-21-18(14)20-8-13)17(23)12-4-3-5-19-7-12/h3-9H,1-2H3,(H,20,21)
InChIKeyMYMQIZFVXZSSAJ-UHFFFAOYSA-N
XLogP3.46
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone (CID 86267304) is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone is Cc1noc(C)c1-c1cnc2[nH]cc(C(=O)c3cccnc3)c2c1.
What is the InChIKey of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone?
The InChIKey is MYMQIZFVXZSSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-10-16(11(2)24-22-10)13-6-14-15(9-21-18(14)20-8-13)17(23)12-4-3-5-19-7-12/h3-9H,1-2H3,(H,20,21).
What are the key properties of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone?
[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone has a molecular weight of 318.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 86267304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).