tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate

C23H25N5O3 — CID 118121011

IUPACtert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate
SMILESCc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H25N5O3/c1-14-20(15(2)31-27-14)16-6-8-17(9-7-16)21-22(25-13-19(29)30-23(3,4)5)28-11-10-24-12-18(28)26-21/h6-12,25H,13H2,1-5H3
InChIKeyNYBAHKCREUBCQF-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.42
Rot. Bonds5

About tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate

tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate (PubChem CID 118121011) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate
PubChem CID118121011
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Nametert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate
SMILESCc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H25N5O3/c1-14-20(15(2)31-27-14)16-6-8-17(9-7-16)21-22(25-13-19(29)30-23(3,4)5)28-11-10-24-12-18(28)26-21/h6-12,25H,13H2,1-5H3
InChIKeyNYBAHKCREUBCQF-UHFFFAOYSA-N
XLogP4.42
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate?
The IUPAC name of tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate (CID 118121011) is tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate is Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate?
The InChIKey is NYBAHKCREUBCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-14-20(15(2)31-27-14)16-6-8-17(9-7-16)21-22(25-13-19(29)30-23(3,4)5)28-11-10-24-12-18(28)26-21/h6-12,25H,13H2,1-5H3.
What are the key properties of tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate?
tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate has a molecular weight of 419.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]acetate is sourced from PubChem (CID 118121011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).