N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

C27H24N4O3 — CID 23122060

IUPACN-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1
InChIInChI=1S/C27H24N4O3/c32-25(29-22-11-12-23-19(17-22)13-14-28-23)30-15-16-31-24(18-30)27(34-26(31)33,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,17,24,28H,15-16,18H2,(H,29,32)
InChIKeyZQKDKEIUIBMTSA-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.78
Rot. Bonds3

About N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (PubChem CID 23122060) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
PubChem CID23122060
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC NameN-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1
InChIInChI=1S/C27H24N4O3/c32-25(29-22-11-12-23-19(17-22)13-14-28-23)30-15-16-31-24(18-30)27(34-26(31)33,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,17,24,28H,15-16,18H2,(H,29,32)
InChIKeyZQKDKEIUIBMTSA-UHFFFAOYSA-N
XLogP4.78
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (CID 23122060) is N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1.
What is the InChIKey of N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The InChIKey is ZQKDKEIUIBMTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c32-25(29-22-11-12-23-19(17-22)13-14-28-23)30-15-16-31-24(18-30)27(34-26(31)33,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,17,24,28H,15-16,18H2,(H,29,32).
What are the key properties of N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is sourced from PubChem (CID 23122060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).