(3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C28H32N2O5 — CID 160789372

IUPAC(3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESO=C1C(C2(O)CCC2)CC2CO[C@H](c3ccccc3)N12.O=C1CCC2CO[C@H](c3ccccc3)N12
InChIInChI=1S/C16H19NO3.C12H13NO2/c18-14-13(16(19)7-4-8-16)9-12-10-20-15(17(12)14)11-5-2-1-3-6-11;14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h1-3,5-6,12-13,15,19H,4,7-10H2;1-5,10,12H,6-8H2/t12?,13?,15-;10?,12-/m11/s1
InChIKeySBQDOYJBDVXTNO-YKJLIZONSA-N
MW476.57 g/mol
LogP3.55
Rot. Bonds3

About (3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

(3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 160789372) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is (3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID160789372
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name(3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESO=C1C(C2(O)CCC2)CC2CO[C@H](c3ccccc3)N12.O=C1CCC2CO[C@H](c3ccccc3)N12
InChIInChI=1S/C16H19NO3.C12H13NO2/c18-14-13(16(19)7-4-8-16)9-12-10-20-15(17(12)14)11-5-2-1-3-6-11;14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h1-3,5-6,12-13,15,19H,4,7-10H2;1-5,10,12H,6-8H2/t12?,13?,15-;10?,12-/m11/s1
InChIKeySBQDOYJBDVXTNO-YKJLIZONSA-N
XLogP3.55
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 160789372) is (3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is O=C1C(C2(O)CCC2)CC2CO[C@H](c3ccccc3)N12.O=C1CCC2CO[C@H](c3ccccc3)N12.
What is the InChIKey of (3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is SBQDOYJBDVXTNO-YKJLIZONSA-N. The full InChI is InChI=1S/C16H19NO3.C12H13NO2/c18-14-13(16(19)7-4-8-16)9-12-10-20-15(17(12)14)11-5-2-1-3-6-11;14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h1-3,5-6,12-13,15,19H,4,7-10H2;1-5,10,12H,6-8H2/t12?,13?,15-;10?,12-/m11/s1.
What are the key properties of (3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
(3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 476.57 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-(1-hydroxycyclobutyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 160789372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).