3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine

C18H14F2N4O — CID 135448179

IUPAC3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCN(C)c1ccc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c2n1
InChIInChI=1S/C18H14F2N4O/c1-24(2)15-7-6-11-12(8-21-18(11)23-15)17-13(9-22-25-17)10-4-3-5-14(19)16(10)20/h3-9H,1-2H3,(H,21,23)
InChIKeyUKIOOKHYJBOAPR-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.23
Rot. Bonds3

About 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine

3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 135448179) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID135448179
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCN(C)c1ccc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c2n1
InChIInChI=1S/C18H14F2N4O/c1-24(2)15-7-6-11-12(8-21-18(11)23-15)17-13(9-22-25-17)10-4-3-5-14(19)16(10)20/h3-9H,1-2H3,(H,21,23)
InChIKeyUKIOOKHYJBOAPR-UHFFFAOYSA-N
XLogP4.23
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 135448179) is 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine is CN(C)c1ccc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c2n1.
What is the InChIKey of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is UKIOOKHYJBOAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-24(2)15-7-6-11-12(8-21-18(11)23-15)17-13(9-22-25-17)10-4-3-5-14(19)16(10)20/h3-9H,1-2H3,(H,21,23).
What are the key properties of 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 340.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 135448179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).