3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide

C18H16N6O2 — CID 68756880

IUPAC3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide
SMILESNC(=O)CCn1ccc2cnc(Nc3cccc(-c4cnco4)c3)nc21
InChIInChI=1S/C18H16N6O2/c19-16(25)5-7-24-6-4-13-9-21-18(23-17(13)24)22-14-3-1-2-12(8-14)15-10-20-11-26-15/h1-4,6,8-11H,5,7H2,(H2,19,25)(H,21,22,23)
InChIKeyUWKJVHNQJJCDGC-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.71
Rot. Bonds6

About 3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide

3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide (PubChem CID 68756880) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide.

Molecular Properties

Compound Name3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide
PubChem CID68756880
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide
SMILESNC(=O)CCn1ccc2cnc(Nc3cccc(-c4cnco4)c3)nc21
InChIInChI=1S/C18H16N6O2/c19-16(25)5-7-24-6-4-13-9-21-18(23-17(13)24)22-14-3-1-2-12(8-14)15-10-20-11-26-15/h1-4,6,8-11H,5,7H2,(H2,19,25)(H,21,22,23)
InChIKeyUWKJVHNQJJCDGC-UHFFFAOYSA-N
XLogP2.71
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide?
The IUPAC name of 3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide (CID 68756880) is 3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide.
What is the SMILES notation for 3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide?
The canonical SMILES for 3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide is NC(=O)CCn1ccc2cnc(Nc3cccc(-c4cnco4)c3)nc21.
What is the InChIKey of 3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide?
The InChIKey is UWKJVHNQJJCDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c19-16(25)5-7-24-6-4-13-9-21-18(23-17(13)24)22-14-3-1-2-12(8-14)15-10-20-11-26-15/h1-4,6,8-11H,5,7H2,(H2,19,25)(H,21,22,23).
What are the key properties of 3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide?
3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide has a molecular weight of 348.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide is sourced from PubChem (CID 68756880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).