5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide

C23H20N4O2 — CID 130299013

IUPAC5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCc2ccccc2-n2ccnc21)c1cc(Cc2ccccc2)on1
InChIInChI=1S/C23H20N4O2/c28-23(20-15-18(29-26-20)14-16-6-2-1-3-7-16)25-19-11-10-17-8-4-5-9-21(17)27-13-12-24-22(19)27/h1-9,12-13,15,19H,10-11,14H2,(H,25,28)/t19-/m0/s1
InChIKeyHFOPVNLMWBHIFT-IBGZPJMESA-N
MW384.44 g/mol
LogP3.87
Rot. Bonds4

About 5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide

5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130299013) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID130299013
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCc2ccccc2-n2ccnc21)c1cc(Cc2ccccc2)on1
InChIInChI=1S/C23H20N4O2/c28-23(20-15-18(29-26-20)14-16-6-2-1-3-7-16)25-19-11-10-17-8-4-5-9-21(17)27-13-12-24-22(19)27/h1-9,12-13,15,19H,10-11,14H2,(H,25,28)/t19-/m0/s1
InChIKeyHFOPVNLMWBHIFT-IBGZPJMESA-N
XLogP3.87
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide (CID 130299013) is 5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CCc2ccccc2-n2ccnc21)c1cc(Cc2ccccc2)on1.
What is the InChIKey of 5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is HFOPVNLMWBHIFT-IBGZPJMESA-N. The full InChI is InChI=1S/C23H20N4O2/c28-23(20-15-18(29-26-20)14-16-6-2-1-3-7-16)25-19-11-10-17-8-4-5-9-21(17)27-13-12-24-22(19)27/h1-9,12-13,15,19H,10-11,14H2,(H,25,28)/t19-/m0/s1.
What are the key properties of 5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide?
5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130299013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).