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

C23H19N5O — CID 153465809

IUPAC5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1noc(C)c1-c1cccc(-c2c[nH]c3nc(Nc4ccccc4)ncc23)c1
InChIInChI=1S/C23H19N5O/c1-14-21(15(2)29-28-14)17-8-6-7-16(11-17)19-12-24-22-20(19)13-25-23(27-22)26-18-9-4-3-5-10-18/h3-13H,1-2H3,(H2,24,25,26,27)
InChIKeyALYWJXIXAHIQDU-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.64
Rot. Bonds4

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

5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 153465809) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID153465809
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1noc(C)c1-c1cccc(-c2c[nH]c3nc(Nc4ccccc4)ncc23)c1
InChIInChI=1S/C23H19N5O/c1-14-21(15(2)29-28-14)17-8-6-7-16(11-17)19-12-24-22-20(19)13-25-23(27-22)26-18-9-4-3-5-10-18/h3-13H,1-2H3,(H2,24,25,26,27)
InChIKeyALYWJXIXAHIQDU-UHFFFAOYSA-N
XLogP5.64
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 153465809) is 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1noc(C)c1-c1cccc(-c2c[nH]c3nc(Nc4ccccc4)ncc23)c1.
What is the InChIKey of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ALYWJXIXAHIQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-14-21(15(2)29-28-14)17-8-6-7-16(11-17)19-12-24-22-20(19)13-25-23(27-22)26-18-9-4-3-5-10-18/h3-13H,1-2H3,(H2,24,25,26,27).
What are the key properties of 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 381.44 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 153465809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).