(8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

C19H22FN5O3 — CID 126438262

IUPAC(8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)N1CCN2C(=O)OC[C@H]2C1
InChIInChI=1S/C19H22FN5O3/c1-12-17(13(2)25(22-12)15-5-3-14(20)4-6-15)9-21-18(26)23-7-8-24-16(10-23)11-28-19(24)27/h3-6,16H,7-11H2,1-2H3,(H,21,26)/t16-/m1/s1
InChIKeyMEGOFXBXYFUXSY-MRXNPFEDSA-N
MW387.42 g/mol
LogP1.97
Rot. Bonds3

About (8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

(8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (PubChem CID 126438262) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is (8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
PubChem CID126438262
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name(8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)N1CCN2C(=O)OC[C@H]2C1
InChIInChI=1S/C19H22FN5O3/c1-12-17(13(2)25(22-12)15-5-3-14(20)4-6-15)9-21-18(26)23-7-8-24-16(10-23)11-28-19(24)27/h3-6,16H,7-11H2,1-2H3,(H,21,26)/t16-/m1/s1
InChIKeyMEGOFXBXYFUXSY-MRXNPFEDSA-N
XLogP1.97
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

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2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
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N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 97065533
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide
CID 118782252
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone
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CID 119124710
1-[4-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802531
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
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N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154571332

Frequently Asked Questions

What is the IUPAC name of (8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The IUPAC name of (8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (CID 126438262) is (8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)N1CCN2C(=O)OC[C@H]2C1.
What is the InChIKey of (8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The InChIKey is MEGOFXBXYFUXSY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-12-17(13(2)25(22-12)15-5-3-14(20)4-6-15)9-21-18(26)23-7-8-24-16(10-23)11-28-19(24)27/h3-6,16H,7-11H2,1-2H3,(H,21,26)/t16-/m1/s1.
What are the key properties of (8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
(8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is sourced from PubChem (CID 126438262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).