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

C24H21FN4O2 — CID 155533341

IUPAC2-[8-[1-(4-fluorophenyl)ethyl]-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(C(C)c3ccc(F)cc3)OCC4)cc12
InChIInChI=1S/C24H21FN4O2/c1-14(15-3-6-17(25)7-4-15)22-24-28-21(13-29(24)9-10-31-22)20-11-18-19(27-20)8-5-16(12-26)23(18)30-2/h3-8,11,13-14,22,27H,9-10H2,1-2H3
InChIKeyPZXMKCPRRHWSHY-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.93
Rot. Bonds4

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

2-[8-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile (PubChem CID 155533341) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[8-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-[8-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
PubChem CID155533341
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-[8-[1-(4-fluorophenyl)ethyl]-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(C(C)c3ccc(F)cc3)OCC4)cc12
InChIInChI=1S/C24H21FN4O2/c1-14(15-3-6-17(25)7-4-15)22-24-28-21(13-29(24)9-10-31-22)20-11-18-19(27-20)8-5-16(12-26)23(18)30-2/h3-8,11,13-14,22,27H,9-10H2,1-2H3
InChIKeyPZXMKCPRRHWSHY-UHFFFAOYSA-N
XLogP4.93
TPSA75.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The IUPAC name of 2-[8-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile (CID 155533341) is 2-[8-[1-(4-fluorophenyl)ethyl]-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-[8-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The canonical SMILES for 2-[8-[1-(4-fluorophenyl)ethyl]-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(C(C)c3ccc(F)cc3)OCC4)cc12.
What is the InChIKey of 2-[8-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
The InChIKey is PZXMKCPRRHWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-14(15-3-6-17(25)7-4-15)22-24-28-21(13-29(24)9-10-31-22)20-11-18-19(27-20)8-5-16(12-26)23(18)30-2/h3-8,11,13-14,22,27H,9-10H2,1-2H3.
What are the key properties of 2-[8-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile?
2-[8-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile has a molecular weight of 416.46 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[1-(4-fluorophenyl)ethyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile is sourced from PubChem (CID 155533341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).