2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide

C17H24FN3O2 — CID 21295689

IUPAC2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CCN2C(COC2(C)C)C1
InChIInChI=1S/C17H24FN3O2/c1-12-4-5-13(18)8-15(12)19-16(22)10-20-6-7-21-14(9-20)11-23-17(21,2)3/h4-5,8,14H,6-7,9-11H2,1-3H3,(H,19,22)
InChIKeyJMQGXDAAZNTETE-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.83
Rot. Bonds3

About 2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide

2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 21295689) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID21295689
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CCN2C(COC2(C)C)C1
InChIInChI=1S/C17H24FN3O2/c1-12-4-5-13(18)8-15(12)19-16(22)10-20-6-7-21-14(9-20)11-23-17(21,2)3/h4-5,8,14H,6-7,9-11H2,1-3H3,(H,19,22)
InChIKeyJMQGXDAAZNTETE-UHFFFAOYSA-N
XLogP1.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide with MolForge

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 81497218
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719829
3-amino-1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324973
N-(5-fluoro-2-methylphenyl)-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
CID 110162295
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 18084912
N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456847
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991884
N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162119

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide (CID 21295689) is 2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)CN1CCN2C(COC2(C)C)C1.
What is the InChIKey of 2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is JMQGXDAAZNTETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12-4-5-13(18)8-15(12)19-16(22)10-20-6-7-21-14(9-20)11-23-17(21,2)3/h4-5,8,14H,6-7,9-11H2,1-3H3,(H,19,22).
What are the key properties of 2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 21295689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).