2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide

C15H21FN4O3 — CID 97365392

IUPAC2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncc(F)cn1
InChIInChI=1S/C15H21FN4O3/c1-19(2)13(21)9-23-12-4-3-11-14(12)22-6-5-20(11)15-17-7-10(16)8-18-15/h7-8,11-12,14H,3-6,9H2,1-2H3/t11-,12+,14+/m0/s1
InChIKeyKDGQLCPUQHAIAM-OUCADQQQSA-N
MW324.36 g/mol
LogP0.46
Rot. Bonds4

About 2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide

2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide (PubChem CID 97365392) has the molecular formula C15H21FN4O3 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide
PubChem CID97365392
Molecular FormulaC15H21FN4O3
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncc(F)cn1
InChIInChI=1S/C15H21FN4O3/c1-19(2)13(21)9-23-12-4-3-11-14(12)22-6-5-20(11)15-17-7-10(16)8-18-15/h7-8,11-12,14H,3-6,9H2,1-2H3/t11-,12+,14+/m0/s1
InChIKeyKDGQLCPUQHAIAM-OUCADQQQSA-N
XLogP0.46
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide (CID 97365392) is 2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide is CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncc(F)cn1.
What is the InChIKey of 2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is KDGQLCPUQHAIAM-OUCADQQQSA-N. The full InChI is InChI=1S/C15H21FN4O3/c1-19(2)13(21)9-23-12-4-3-11-14(12)22-6-5-20(11)15-17-7-10(16)8-18-15/h7-8,11-12,14H,3-6,9H2,1-2H3/t11-,12+,14+/m0/s1.
What are the key properties of 2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide?
2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 324.36 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 97365392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).