2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile

C23H19FN4O2 — CID 91844707

IUPAC2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
SMILESCOc1c(C#N)ccc2[nH]c(-c3cn4c(n3)[C@H](c3cccc(F)c3C)OCC4)cc12
InChIInChI=1S/C23H19FN4O2/c1-13-15(4-3-5-17(13)24)22-23-27-20(12-28(23)8-9-30-22)19-10-16-18(26-19)7-6-14(11-25)21(16)29-2/h3-7,10,12,22,26H,8-9H2,1-2H3/t22-/m0/s1
InChIKeyUBJJQXXWGRHIDV-QFIPXVFZSA-N
MW402.43 g/mol
LogP4.48
Rot. Bonds3

About 2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile

2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile (PubChem CID 91844707) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
PubChem CID91844707
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
SMILESCOc1c(C#N)ccc2[nH]c(-c3cn4c(n3)[C@H](c3cccc(F)c3C)OCC4)cc12
InChIInChI=1S/C23H19FN4O2/c1-13-15(4-3-5-17(13)24)22-23-27-20(12-28(23)8-9-30-22)19-10-16-18(26-19)7-6-14(11-25)21(16)29-2/h3-7,10,12,22,26H,8-9H2,1-2H3/t22-/m0/s1
InChIKeyUBJJQXXWGRHIDV-QFIPXVFZSA-N
XLogP4.48
TPSA75.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The IUPAC name of 2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile (CID 91844707) is 2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The canonical SMILES for 2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile is COc1c(C#N)ccc2[nH]c(-c3cn4c(n3)[C@H](c3cccc(F)c3C)OCC4)cc12.
What is the InChIKey of 2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The InChIKey is UBJJQXXWGRHIDV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-13-15(4-3-5-17(13)24)22-23-27-20(12-28(23)8-9-30-22)19-10-16-18(26-19)7-6-14(11-25)21(16)29-2/h3-7,10,12,22,26H,8-9H2,1-2H3/t22-/m0/s1.
What are the key properties of 2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile has a molecular weight of 402.43 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8S)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile is sourced from PubChem (CID 91844707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).