(3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one

C18H18N2O2 — CID 162399829

IUPAC(3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one
SMILESO=C1[C@H](c2ccccc2)N2CCOC[C@H]2N1c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-18-17(14-7-3-1-4-8-14)19-11-12-22-13-16(19)20(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m1/s1
InChIKeySTYNFRNRBMKABT-SJORKVTESA-N
MW294.35 g/mol
LogP2.43
Rot. Bonds2

About (3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one

(3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one (PubChem CID 162399829) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one.

Molecular Properties

Compound Name(3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one
PubChem CID162399829
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one
SMILESO=C1[C@H](c2ccccc2)N2CCOC[C@H]2N1c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-18-17(14-7-3-1-4-8-14)19-11-12-22-13-16(19)20(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m1/s1
InChIKeySTYNFRNRBMKABT-SJORKVTESA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one?
The IUPAC name of (3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one (CID 162399829) is (3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one.
What is the SMILES notation for (3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one?
The canonical SMILES for (3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one is O=C1[C@H](c2ccccc2)N2CCOC[C@H]2N1c1ccccc1.
What is the InChIKey of (3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one?
The InChIKey is STYNFRNRBMKABT-SJORKVTESA-N. The full InChI is InChI=1S/C18H18N2O2/c21-18-17(14-7-3-1-4-8-14)19-11-12-22-13-16(19)20(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m1/s1.
What are the key properties of (3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one?
(3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one is sourced from PubChem (CID 162399829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).