5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

C15H14N6O — CID 127046077

IUPAC5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
SMILESCC(C)n1nc(-c2ccc3oc(N)nc3c2)c2cncnc21
InChIInChI=1S/C15H14N6O/c1-8(2)21-14-10(6-17-7-18-14)13(20-21)9-3-4-12-11(5-9)19-15(16)22-12/h3-8H,1-2H3,(H2,16,19)
InChIKeyCSEOONOVPLSZSS-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.80
Rot. Bonds2

About 5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine (PubChem CID 127046077) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
PubChem CID127046077
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
SMILESCC(C)n1nc(-c2ccc3oc(N)nc3c2)c2cncnc21
InChIInChI=1S/C15H14N6O/c1-8(2)21-14-10(6-17-7-18-14)13(20-21)9-3-4-12-11(5-9)19-15(16)22-12/h3-8H,1-2H3,(H2,16,19)
InChIKeyCSEOONOVPLSZSS-UHFFFAOYSA-N
XLogP2.80
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine (CID 127046077) is 5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine is CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2cncnc21.
What is the InChIKey of 5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
The InChIKey is CSEOONOVPLSZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-8(2)21-14-10(6-17-7-18-14)13(20-21)9-3-4-12-11(5-9)19-15(16)22-12/h3-8H,1-2H3,(H2,16,19).
What are the key properties of 5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine?
5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine has a molecular weight of 294.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 127046077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).