N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide

C23H19F5N4O3 — CID 139564246

IUPACN-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
SMILESO=C(NC1=N[C@](CF)(C2CC(Oc3cnccn3)=CC=C2F)C[C@@H](C(F)(F)F)O1)c1ccccc1
InChIInChI=1S/C23H19F5N4O3/c24-13-22(16-10-15(6-7-17(16)25)34-19-12-29-8-9-30-19)11-18(23(26,27)28)35-21(32-22)31-20(33)14-4-2-1-3-5-14/h1-9,12,16,18H,10-11,13H2,(H,31,32,33)/t16?,18-,22+/m0/s1
InChIKeyWORAWHHNPFYJMQ-DECKRMNZSA-N
MW494.42 g/mol
LogP4.46
Rot. Bonds5

About N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide

N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide (PubChem CID 139564246) has the molecular formula C23H19F5N4O3 and a molecular weight of 494.42 g/mol. Its IUPAC name is N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
PubChem CID139564246
Molecular FormulaC23H19F5N4O3
Molecular Weight494.42 g/mol
Exact Mass494.14
IUPAC NameN-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
SMILESO=C(NC1=N[C@](CF)(C2CC(Oc3cnccn3)=CC=C2F)C[C@@H](C(F)(F)F)O1)c1ccccc1
InChIInChI=1S/C23H19F5N4O3/c24-13-22(16-10-15(6-7-17(16)25)34-19-12-29-8-9-30-19)11-18(23(26,27)28)35-21(32-22)31-20(33)14-4-2-1-3-5-14/h1-9,12,16,18H,10-11,13H2,(H,31,32,33)/t16?,18-,22+/m0/s1
InChIKeyWORAWHHNPFYJMQ-DECKRMNZSA-N
XLogP4.46
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide with MolForge

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Related Compounds

N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
CID 86732261
N-[4-(2-fluoro-5-hydroxyphenyl)-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
CID 123139846
N-[(4S,6S)-4-(5-bromo-2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide
CID 86732116
N-[6-(5-fluoropyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide
CID 90121162
N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide
CID 9102312
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119388069
N-(2-amino-2-methylpropyl)-3-pyrazin-2-yloxybenzamide
CID 119628152
2-pyrazin-2-yloxybenzoic acid
CID 61395597
N-[(4R,5R,6S)-5-fluoro-4-(2-fluorophenyl)-6-(hydroxymethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]benzamide
CID 118399545
tert-butyl N-[4-[3-fluoro-6-[(5-methoxypyrazine-2-carbonyl)amino]-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate
CID 123430918
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide
CID 139010394

Frequently Asked Questions

What is the IUPAC name of N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The IUPAC name of N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide (CID 139564246) is N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide.
What is the SMILES notation for N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The canonical SMILES for N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide is O=C(NC1=N[C@](CF)(C2CC(Oc3cnccn3)=CC=C2F)C[C@@H](C(F)(F)F)O1)c1ccccc1.
What is the InChIKey of N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
The InChIKey is WORAWHHNPFYJMQ-DECKRMNZSA-N. The full InChI is InChI=1S/C23H19F5N4O3/c24-13-22(16-10-15(6-7-17(16)25)34-19-12-29-8-9-30-19)11-18(23(26,27)28)35-21(32-22)31-20(33)14-4-2-1-3-5-14/h1-9,12,16,18H,10-11,13H2,(H,31,32,33)/t16?,18-,22+/m0/s1.
What are the key properties of N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide?
N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide has a molecular weight of 494.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyrazin-2-yloxycyclohexa-2,4-dien-1-yl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]benzamide is sourced from PubChem (CID 139564246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).