2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine

C25H23N5O — CID 121395935

IUPAC2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NC(C)c2ccccc2)cc1
InChIInChI=1S/C25H23N5O/c1-16(19-7-5-4-6-8-19)27-25-24(28-22-15-26-13-14-30(22)25)21-11-9-20(10-12-21)23-17(2)29-31-18(23)3/h4-16,27H,1-3H3
InChIKeyATBSLIIYZHREFU-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.84
Rot. Bonds5

About 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine

2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 121395935) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID121395935
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NC(C)c2ccccc2)cc1
InChIInChI=1S/C25H23N5O/c1-16(19-7-5-4-6-8-19)27-25-24(28-22-15-26-13-14-30(22)25)21-11-9-20(10-12-21)23-17(2)29-31-18(23)3/h4-16,27H,1-3H3
InChIKeyATBSLIIYZHREFU-UHFFFAOYSA-N
XLogP5.84
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine (CID 121395935) is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine is Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NC(C)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is ATBSLIIYZHREFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-16(19-7-5-4-6-8-19)27-25-24(28-22-15-26-13-14-30(22)25)21-11-9-20(10-12-21)23-17(2)29-31-18(23)3/h4-16,27H,1-3H3.
What are the key properties of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine?
2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 409.49 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(1-phenylethyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 121395935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).