6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile

C23H17F3N4O2 — CID 155522962

IUPAC6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile
SMILESCOc1cc2[nH]c(-c3cn4c(n3)C(c3ccccc3C(F)(F)F)OCC4)cc2cc1C#N
InChIInChI=1S/C23H17F3N4O2/c1-31-20-10-17-13(8-14(20)11-27)9-18(28-17)19-12-30-6-7-32-21(22(30)29-19)15-4-2-3-5-16(15)23(24,25)26/h2-5,8-10,12,21,28H,6-7H2,1H3
InChIKeyWYPVXTIQLLZRCZ-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.05
Rot. Bonds3

About 6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile

6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile (PubChem CID 155522962) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile
PubChem CID155522962
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile
SMILESCOc1cc2[nH]c(-c3cn4c(n3)C(c3ccccc3C(F)(F)F)OCC4)cc2cc1C#N
InChIInChI=1S/C23H17F3N4O2/c1-31-20-10-17-13(8-14(20)11-27)9-18(28-17)19-12-30-6-7-32-21(22(30)29-19)15-4-2-3-5-16(15)23(24,25)26/h2-5,8-10,12,21,28H,6-7H2,1H3
InChIKeyWYPVXTIQLLZRCZ-UHFFFAOYSA-N
XLogP5.05
TPSA75.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile (CID 155522962) is 6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile is COc1cc2[nH]c(-c3cn4c(n3)C(c3ccccc3C(F)(F)F)OCC4)cc2cc1C#N.
What is the InChIKey of 6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile?
The InChIKey is WYPVXTIQLLZRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-31-20-10-17-13(8-14(20)11-27)9-18(28-17)19-12-30-6-7-32-21(22(30)29-19)15-4-2-3-5-16(15)23(24,25)26/h2-5,8-10,12,21,28H,6-7H2,1H3.
What are the key properties of 6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile?
6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile has a molecular weight of 438.41 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 155522962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).