2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile

C14H13N5O2 — CID 136970240

IUPAC2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile
SMILESCC(C)COc1ncnc2[nH]cc(-c3nc(C#N)co3)c12
InChIInChI=1S/C14H13N5O2/c1-8(2)5-20-14-11-10(4-16-12(11)17-7-18-14)13-19-9(3-15)6-21-13/h4,6-8H,5H2,1-2H3,(H,16,17,18)
InChIKeySVBJELYADWDSHS-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.52
Rot. Bonds4

About 2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile

2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 136970240) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile
PubChem CID136970240
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile
SMILESCC(C)COc1ncnc2[nH]cc(-c3nc(C#N)co3)c12
InChIInChI=1S/C14H13N5O2/c1-8(2)5-20-14-11-10(4-16-12(11)17-7-18-14)13-19-9(3-15)6-21-13/h4,6-8H,5H2,1-2H3,(H,16,17,18)
InChIKeySVBJELYADWDSHS-UHFFFAOYSA-N
XLogP2.52
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile (CID 136970240) is 2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile is CC(C)COc1ncnc2[nH]cc(-c3nc(C#N)co3)c12.
What is the InChIKey of 2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is SVBJELYADWDSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8(2)5-20-14-11-10(4-16-12(11)17-7-18-14)13-19-9(3-15)6-21-13/h4,6-8H,5H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile?
2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 283.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 136970240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).