2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H13N5O — CID 175869515

IUPAC2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=Cc1ncc(-c2ccc(-c3nc(N)c4cc[nH]c4n3)cc2)o1
InChIInChI=1S/C17H13N5O/c1-2-14-20-9-13(23-14)10-3-5-11(6-4-10)16-21-15(18)12-7-8-19-17(12)22-16/h2-9H,1H2,(H3,18,19,21,22)
InChIKeyMDGJMKJCQPOPMN-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.51
Rot. Bonds3

About 2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 175869515) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID175869515
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=Cc1ncc(-c2ccc(-c3nc(N)c4cc[nH]c4n3)cc2)o1
InChIInChI=1S/C17H13N5O/c1-2-14-20-9-13(23-14)10-3-5-11(6-4-10)16-21-15(18)12-7-8-19-17(12)22-16/h2-9H,1H2,(H3,18,19,21,22)
InChIKeyMDGJMKJCQPOPMN-UHFFFAOYSA-N
XLogP3.51
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 175869515) is 2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is C=Cc1ncc(-c2ccc(-c3nc(N)c4cc[nH]c4n3)cc2)o1.
What is the InChIKey of 2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MDGJMKJCQPOPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-2-14-20-9-13(23-14)10-3-5-11(6-4-10)16-21-15(18)12-7-8-19-17(12)22-16/h2-9H,1H2,(H3,18,19,21,22).
What are the key properties of 2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175869515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).