N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide

C15H16N2O4 — CID 10637074

IUPACN-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1OC(=O)N2c3ccc(C(C)=O)cc3C[C@@H]12
InChIInChI=1S/C15H16N2O4/c1-8(18)10-3-4-12-11(5-10)6-13-14(7-16-9(2)19)21-15(20)17(12)13/h3-5,13-14H,6-7H2,1-2H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyGAADESKCNDMVAL-KBPBESRZSA-N
MW288.30 g/mol
LogP1.28
Rot. Bonds3

About N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide

N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide (PubChem CID 10637074) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide
PubChem CID10637074
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1OC(=O)N2c3ccc(C(C)=O)cc3C[C@@H]12
InChIInChI=1S/C15H16N2O4/c1-8(18)10-3-4-12-11(5-10)6-13-14(7-16-9(2)19)21-15(20)17(12)13/h3-5,13-14H,6-7H2,1-2H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyGAADESKCNDMVAL-KBPBESRZSA-N
XLogP1.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide (CID 10637074) is N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1OC(=O)N2c3ccc(C(C)=O)cc3C[C@@H]12.
What is the InChIKey of N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide?
The InChIKey is GAADESKCNDMVAL-KBPBESRZSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-8(18)10-3-4-12-11(5-10)6-13-14(7-16-9(2)19)21-15(20)17(12)13/h3-5,13-14H,6-7H2,1-2H3,(H,16,19)/t13-,14-/m0/s1.
What are the key properties of N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide?
N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide has a molecular weight of 288.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aS)-6-acetyl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide is sourced from PubChem (CID 10637074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).