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

C12H11N3O — CID 10149102

IUPAC3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C12H11N3O/c1-7-11(8(2)16-15-7)10-5-9-3-4-13-12(9)14-6-10/h3-6H,1-2H3,(H,13,14)
InChIKeyUKELRNSNPZHDOM-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.83
Rot. Bonds1

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

3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole (PubChem CID 10149102) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole
PubChem CID10149102
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C12H11N3O/c1-7-11(8(2)16-15-7)10-5-9-3-4-13-12(9)14-6-10/h3-6H,1-2H3,(H,13,14)
InChIKeyUKELRNSNPZHDOM-UHFFFAOYSA-N
XLogP2.83
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole (CID 10149102) is 3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole is Cc1noc(C)c1-c1cnc2[nH]ccc2c1.
What is the InChIKey of 3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?
The InChIKey is UKELRNSNPZHDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-11(8(2)16-15-7)10-5-9-3-4-13-12(9)14-6-10/h3-6H,1-2H3,(H,13,14).
What are the key properties of 3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?
3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole has a molecular weight of 213.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole is sourced from PubChem (CID 10149102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).