[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone

C17H23N5O3 — CID 157016584

IUPAC[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCN4[C@@H](COC[C@@H]4C)C3)no2)cnn1C
InChIInChI=1S/C17H23N5O3/c1-11-9-24-10-13-8-21(4-5-22(11)13)17(23)15-6-16(25-19-15)14-7-18-20(3)12(14)2/h6-7,11,13H,4-5,8-10H2,1-3H3/t11-,13+/m0/s1
InChIKeyQARQUIANLBDKIC-WCQYABFASA-N
MW345.40 g/mol
LogP0.93
Rot. Bonds2

About [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone

[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 157016584) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
PubChem CID157016584
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCN4[C@@H](COC[C@@H]4C)C3)no2)cnn1C
InChIInChI=1S/C17H23N5O3/c1-11-9-24-10-13-8-21(4-5-22(11)13)17(23)15-6-16(25-19-15)14-7-18-20(3)12(14)2/h6-7,11,13H,4-5,8-10H2,1-3H3/t11-,13+/m0/s1
InChIKeyQARQUIANLBDKIC-WCQYABFASA-N
XLogP0.93
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97110759
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70777701
4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 56876330
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone
CID 155499880
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72841576
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[1-(4-aminocyclohexyl)triazol-4-yl]methanone
CID 155919476
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 46968410
2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 119074781
5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95219384
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 124893332
5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide
CID 163316177
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-fluoro-3-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 110215183

Frequently Asked Questions

What is the IUPAC name of [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone (CID 157016584) is [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone is Cc1c(-c2cc(C(=O)N3CCN4[C@@H](COC[C@@H]4C)C3)no2)cnn1C.
What is the InChIKey of [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is QARQUIANLBDKIC-WCQYABFASA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-9-24-10-13-8-21(4-5-22(11)13)17(23)15-6-16(25-19-15)14-7-18-20(3)12(14)2/h6-7,11,13H,4-5,8-10H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 157016584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).