(3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole

C15H21NO — CID 10633300

IUPAC(3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
SMILESCC(C)[C@]12CCCN1[C@H](c1ccccc1)CO2
InChIInChI=1S/C15H21NO/c1-12(2)15-9-6-10-16(15)14(11-17-15)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyQSVTVUPRDSOWAP-LSDHHAIUSA-N
MW231.34 g/mol
LogP3.21
Rot. Bonds2

About (3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole

(3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole (PubChem CID 10633300) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name(3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
PubChem CID10633300
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
SMILESCC(C)[C@]12CCCN1[C@H](c1ccccc1)CO2
InChIInChI=1S/C15H21NO/c1-12(2)15-9-6-10-16(15)14(11-17-15)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyQSVTVUPRDSOWAP-LSDHHAIUSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The IUPAC name of (3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole (CID 10633300) is (3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole.
What is the SMILES notation for (3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The canonical SMILES for (3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole is CC(C)[C@]12CCCN1[C@H](c1ccccc1)CO2.
What is the InChIKey of (3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The InChIKey is QSVTVUPRDSOWAP-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)15-9-6-10-16(15)14(11-17-15)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
(3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7aR)-3-phenyl-7a-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole is sourced from PubChem (CID 10633300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).