3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide

C23H24N4O3 — CID 68979200

IUPAC3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
SMILESCC(NC(=O)N1CCc2onc(C(=O)NCc3ccccc3)c2C1)c1ccccc1
InChIInChI=1S/C23H24N4O3/c1-16(18-10-6-3-7-11-18)25-23(29)27-13-12-20-19(15-27)21(26-30-20)22(28)24-14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,24,28)(H,25,29)
InChIKeyTXFFCNNFUNOGBQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.43
Rot. Bonds5

About 3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide

3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide (PubChem CID 68979200) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
PubChem CID68979200
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide
SMILESCC(NC(=O)N1CCc2onc(C(=O)NCc3ccccc3)c2C1)c1ccccc1
InChIInChI=1S/C23H24N4O3/c1-16(18-10-6-3-7-11-18)25-23(29)27-13-12-20-19(15-27)21(26-30-20)22(28)24-14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,24,28)(H,25,29)
InChIKeyTXFFCNNFUNOGBQ-UHFFFAOYSA-N
XLogP3.43
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide (CID 68979200) is 3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide is CC(NC(=O)N1CCc2onc(C(=O)NCc3ccccc3)c2C1)c1ccccc1.
What is the InChIKey of 3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide?
The InChIKey is TXFFCNNFUNOGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16(18-10-6-3-7-11-18)25-23(29)27-13-12-20-19(15-27)21(26-30-20)22(28)24-14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide?
3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-(1-phenylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 68979200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).