N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C17H26N4O2 — CID 155501773

IUPACN-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)n1
InChIInChI=1S/C17H26N4O2/c1-11-5-12(2)21(19-11)9-17(22)18-14-6-15-10-23-16(13-3-4-13)8-20(15)7-14/h5,13-16H,3-4,6-10H2,1-2H3,(H,18,22)/t14-,15-,16+/m0/s1
InChIKeyRMORVEYXKXPWBN-HRCADAONSA-N
MW318.42 g/mol
LogP0.87
Rot. Bonds4

About N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 155501773) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID155501773
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)n1
InChIInChI=1S/C17H26N4O2/c1-11-5-12(2)21(19-11)9-17(22)18-14-6-15-10-23-16(13-3-4-13)8-20(15)7-14/h5,13-16H,3-4,6-10H2,1-2H3,(H,18,22)/t14-,15-,16+/m0/s1
InChIKeyRMORVEYXKXPWBN-HRCADAONSA-N
XLogP0.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide with MolForge

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Related Compounds

N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-hydroxyphenyl)acetamide
CID 155496203
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155493684
N-[(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 155917085
N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 155504452
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5-dimethylbenzamide
CID 155504487
2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119449670
N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(3-methoxy-4-methylphenyl)propanamide
CID 155500234
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dichlorobenzamide
CID 154823870
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazole-2-carboxamide
CID 155493966
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-propanoylphenoxy)acetamide
CID 154817657
2-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 45148400

Frequently Asked Questions

What is the IUPAC name of N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 155501773) is N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)n1.
What is the InChIKey of N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is RMORVEYXKXPWBN-HRCADAONSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11-5-12(2)21(19-11)9-17(22)18-14-6-15-10-23-16(13-3-4-13)8-20(15)7-14/h5,13-16H,3-4,6-10H2,1-2H3,(H,18,22)/t14-,15-,16+/m0/s1.
What are the key properties of N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 155501773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).