[(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate

C15H18N2O5 — CID 46232767

IUPAC[(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate
SMILESCN1C(=O)CO[C@@H]2[C@@H](OC(=O)NCc3ccccc3)CO[C@@H]21
InChIInChI=1S/C15H18N2O5/c1-17-12(18)9-20-13-11(8-21-14(13)17)22-15(19)16-7-10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3,(H,16,19)/t11-,13+,14-/m0/s1
InChIKeyRHALMFBHSLDXES-YUTCNCBUSA-N
MW306.32 g/mol
LogP0.49
Rot. Bonds3

About [(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate

[(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate (PubChem CID 46232767) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is [(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate
PubChem CID46232767
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name[(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate
SMILESCN1C(=O)CO[C@@H]2[C@@H](OC(=O)NCc3ccccc3)CO[C@@H]21
InChIInChI=1S/C15H18N2O5/c1-17-12(18)9-20-13-11(8-21-14(13)17)22-15(19)16-7-10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3,(H,16,19)/t11-,13+,14-/m0/s1
InChIKeyRHALMFBHSLDXES-YUTCNCBUSA-N
XLogP0.49
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate?
The IUPAC name of [(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate (CID 46232767) is [(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate.
What is the SMILES notation for [(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate?
The canonical SMILES for [(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate is CN1C(=O)CO[C@@H]2[C@@H](OC(=O)NCc3ccccc3)CO[C@@H]21.
What is the InChIKey of [(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate?
The InChIKey is RHALMFBHSLDXES-YUTCNCBUSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-17-12(18)9-20-13-11(8-21-14(13)17)22-15(19)16-7-10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3,(H,16,19)/t11-,13+,14-/m0/s1.
What are the key properties of [(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate?
[(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate has a molecular weight of 306.32 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,7S,7aR)-4-methyl-3-oxo-4a,6,7,7a-tetrahydrofuro[3,2-b][1,4]oxazin-7-yl] N-benzylcarbamate is sourced from PubChem (CID 46232767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).