2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide

C20H20FN5O2 — CID 131682235

IUPAC2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCc1cccc(-c2nnn3c2COC(CNC(=O)Cc2ccc(F)cn2)C3)c1
InChIInChI=1S/C20H20FN5O2/c1-13-3-2-4-14(7-13)20-18-12-28-17(11-26(18)25-24-20)10-23-19(27)8-16-6-5-15(21)9-22-16/h2-7,9,17H,8,10-12H2,1H3,(H,23,27)
InChIKeyMMWDWYRHAGPVQE-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.05
Rot. Bonds5

About 2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide

2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (PubChem CID 131682235) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
PubChem CID131682235
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCc1cccc(-c2nnn3c2COC(CNC(=O)Cc2ccc(F)cn2)C3)c1
InChIInChI=1S/C20H20FN5O2/c1-13-3-2-4-14(7-13)20-18-12-28-17(11-26(18)25-24-20)10-23-19(27)8-16-6-5-15(21)9-22-16/h2-7,9,17H,8,10-12H2,1H3,(H,23,27)
InChIKeyMMWDWYRHAGPVQE-UHFFFAOYSA-N
XLogP2.05
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 131683679
N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide
CID 134074606
N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridin-2-amine
CID 134073796
1-[(6S)-3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 97469366
2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide
CID 118743015
N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-3-carboxamide
CID 134072332
N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide
CID 131647206
N-[(4-fluorophenyl)methyl]-1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine
CID 131657023
2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 97391396
N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
CID 75367461
N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 97469218
1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 131663207

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (CID 131682235) is 2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is Cc1cccc(-c2nnn3c2COC(CNC(=O)Cc2ccc(F)cn2)C3)c1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The InChIKey is MMWDWYRHAGPVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-13-3-2-4-14(7-13)20-18-12-28-17(11-26(18)25-24-20)10-23-19(27)8-16-6-5-15(21)9-22-16/h2-7,9,17H,8,10-12H2,1H3,(H,23,27).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide has a molecular weight of 381.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is sourced from PubChem (CID 131682235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).