3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole

C20H23NO2 — CID 101081693

IUPAC3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
SMILESc1ccc(COCC23CCCN2C(c2ccccc2)CO3)cc1
InChIInChI=1S/C20H23NO2/c1-3-8-17(9-4-1)14-22-16-20-12-7-13-21(20)19(15-23-20)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2
InChIKeyPWQQDCBSIXGKGK-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.77
Rot. Bonds5

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

3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole (PubChem CID 101081693) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
PubChem CID101081693
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
SMILESc1ccc(COCC23CCCN2C(c2ccccc2)CO3)cc1
InChIInChI=1S/C20H23NO2/c1-3-8-17(9-4-1)14-22-16-20-12-7-13-21(20)19(15-23-20)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2
InChIKeyPWQQDCBSIXGKGK-UHFFFAOYSA-N
XLogP3.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The IUPAC name of 3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole (CID 101081693) is 3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole.
What is the SMILES notation for 3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The canonical SMILES for 3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole is c1ccc(COCC23CCCN2C(c2ccccc2)CO3)cc1.
What is the InChIKey of 3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
The InChIKey is PWQQDCBSIXGKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-8-17(9-4-1)14-22-16-20-12-7-13-21(20)19(15-23-20)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2.
What are the key properties of 3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole?
3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole has a molecular weight of 309.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7a-(phenylmethoxymethyl)-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole is sourced from PubChem (CID 101081693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).