N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide

C16H14FN5O2 — CID 162798393

IUPACN-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1COCc2nc3cc(F)ccc3n21)c1cnccn1
InChIInChI=1S/C16H14FN5O2/c17-10-1-2-14-12(5-10)21-15-9-24-8-11(22(14)15)6-20-16(23)13-7-18-3-4-19-13/h1-5,7,11H,6,8-9H2,(H,20,23)
InChIKeyWVFAYGOPVANZLV-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.47
Rot. Bonds3

About N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide

N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 162798393) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID162798393
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC NameN-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1COCc2nc3cc(F)ccc3n21)c1cnccn1
InChIInChI=1S/C16H14FN5O2/c17-10-1-2-14-12(5-10)21-15-9-24-8-11(22(14)15)6-20-16(23)13-7-18-3-4-19-13/h1-5,7,11H,6,8-9H2,(H,20,23)
InChIKeyWVFAYGOPVANZLV-UHFFFAOYSA-N
XLogP1.47
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 75410913
N-[(3,4-difluorophenyl)methyl]-1-[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine
CID 75411137
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzamide
CID 163032802
N-[(8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]-2-phenylacetamide
CID 162798471
N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide
CID 58138022
1-ethyl-3-[[(4S)-8-methylsulfonyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea
CID 75410984
N-[(3-fluoro-4-pyridinyl)methyl]-1-[(4S)-8-methylsulfonyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine
CID 75411194
1-(4-methoxyphenyl)-3-[[(4S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea
CID 75410950
1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea
CID 97423461
N-[4-[[[(4S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methylamino]methyl]phenyl]acetamide
CID 75411226
N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]pyrazine-2-carboxamide
CID 75367236
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606

Frequently Asked Questions

What is the IUPAC name of N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide (CID 162798393) is N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide is O=C(NCC1COCc2nc3cc(F)ccc3n21)c1cnccn1.
What is the InChIKey of N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is WVFAYGOPVANZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-10-1-2-14-12(5-10)21-15-9-24-8-11(22(14)15)6-20-16(23)13-7-18-3-4-19-13/h1-5,7,11H,6,8-9H2,(H,20,23).
What are the key properties of N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide?
N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 162798393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).