3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide

C22H21N5O2 — CID 11661046

IUPAC3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc(-c3ccc4nc(N)ncc4c3)c2)no1
InChIInChI=1S/C22H21N5O2/c1-22(2,3)18-11-19(27-29-18)26-20(28)15-6-4-5-13(9-15)14-7-8-17-16(10-14)12-24-21(23)25-17/h4-12H,1-3H3,(H2,23,24,25)(H,26,27,28)
InChIKeyZUIYXZXYDJUTCV-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.42
Rot. Bonds3

About 3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide

3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide (PubChem CID 11661046) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide
PubChem CID11661046
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc(-c3ccc4nc(N)ncc4c3)c2)no1
InChIInChI=1S/C22H21N5O2/c1-22(2,3)18-11-19(27-29-18)26-20(28)15-6-4-5-13(9-15)14-7-8-17-16(10-14)12-24-21(23)25-17/h4-12H,1-3H3,(H2,23,24,25)(H,26,27,28)
InChIKeyZUIYXZXYDJUTCV-UHFFFAOYSA-N
XLogP4.42
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide (CID 11661046) is 3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide is CC(C)(C)c1cc(NC(=O)c2cccc(-c3ccc4nc(N)ncc4c3)c2)no1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is ZUIYXZXYDJUTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-22(2,3)18-11-19(27-29-18)26-20(28)15-6-4-5-13(9-15)14-7-8-17-16(10-14)12-24-21(23)25-17/h4-12H,1-3H3,(H2,23,24,25)(H,26,27,28).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide?
3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 387.44 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 11661046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).