5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine

C17H18N6O — CID 172560855

IUPAC5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine
SMILESCC(C)(C)c1nc(-c2ccc3oc(N)nc3c2)c2c(N)nccn12
InChIInChI=1S/C17H18N6O/c1-17(2,3)15-22-12(13-14(18)20-6-7-23(13)15)9-4-5-11-10(8-9)21-16(19)24-11/h4-8H,1-3H3,(H2,18,20)(H2,19,21)
InChIKeyTUBGZQWSNJGGSP-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.00
Rot. Bonds1

About 5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine

5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine (PubChem CID 172560855) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine
PubChem CID172560855
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine
SMILESCC(C)(C)c1nc(-c2ccc3oc(N)nc3c2)c2c(N)nccn12
InChIInChI=1S/C17H18N6O/c1-17(2,3)15-22-12(13-14(18)20-6-7-23(13)15)9-4-5-11-10(8-9)21-16(19)24-11/h4-8H,1-3H3,(H2,18,20)(H2,19,21)
InChIKeyTUBGZQWSNJGGSP-UHFFFAOYSA-N
XLogP3.00
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine
CID 172560854
3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71207842
3-tert-butyl-1-pyridin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 126822618
5-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 171614492
5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 142467589
[2-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-4-methoxyphenyl]methanol
CID 167956292
5-(4-amino-1-propylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 154677705
5-pyrrol-1-yl-1,3-benzoxazol-2-amine
CID 175957420
CID 174001207
CID 174001207
5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 143969091
1-naphthalen-2-yl-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
CID 53345681
3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine
CID 166306445

Frequently Asked Questions

What is the IUPAC name of 5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine (CID 172560855) is 5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine is CC(C)(C)c1nc(-c2ccc3oc(N)nc3c2)c2c(N)nccn12.
What is the InChIKey of 5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine?
The InChIKey is TUBGZQWSNJGGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-17(2,3)15-22-12(13-14(18)20-6-7-23(13)15)9-4-5-11-10(8-9)21-16(19)24-11/h4-8H,1-3H3,(H2,18,20)(H2,19,21).
What are the key properties of 5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine?
5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine has a molecular weight of 322.37 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 172560855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).