N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide

C18H16FN5O2 — CID 75367463

IUPACN-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1cnccn1
InChIInChI=1S/C18H16FN5O2/c19-13-3-1-12(2-4-13)16-9-22-17-11-26-14(10-24(16)17)7-23-18(25)15-8-20-5-6-21-15/h1-6,8-9,14H,7,10-11H2,(H,23,25)/t14-/m0/s1
InChIKeyJQVMNRJBRFOARF-AWEZNQCLSA-N
MW353.36 g/mol
LogP1.81
Rot. Bonds4

About N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide

N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide (PubChem CID 75367463) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide
PubChem CID75367463
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC NameN-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1cnccn1
InChIInChI=1S/C18H16FN5O2/c19-13-3-1-12(2-4-13)16-9-22-17-11-26-14(10-24(16)17)7-23-18(25)15-8-20-5-6-21-15/h1-6,8-9,14H,7,10-11H2,(H,23,25)/t14-/m0/s1
InChIKeyJQVMNRJBRFOARF-AWEZNQCLSA-N
XLogP1.81
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide (CID 75367463) is N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide is O=C(NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1cnccn1.
What is the InChIKey of N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is JQVMNRJBRFOARF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-13-3-1-12(2-4-13)16-9-22-17-11-26-14(10-24(16)17)7-23-18(25)15-8-20-5-6-21-15/h1-6,8-9,14H,7,10-11H2,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide?
N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75367463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).