2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole

C20H20N2O2 — CID 66752960

IUPAC2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESc1ccc(-c2ccccc2OC(c2ncco2)[C@H]2CCNC2)cc1
InChIInChI=1S/C20H20N2O2/c1-2-6-15(7-3-1)17-8-4-5-9-18(17)24-19(16-10-11-21-14-16)20-22-12-13-23-20/h1-9,12-13,16,19,21H,10-11,14H2/t16-,19?/m0/s1
InChIKeyFMHZGNJHALSDMA-UCFFOFKASA-N
MW320.39 g/mol
LogP4.07
Rot. Bonds5

About 2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole

2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole (PubChem CID 66752960) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
PubChem CID66752960
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESc1ccc(-c2ccccc2OC(c2ncco2)[C@H]2CCNC2)cc1
InChIInChI=1S/C20H20N2O2/c1-2-6-15(7-3-1)17-8-4-5-9-18(17)24-19(16-10-11-21-14-16)20-22-12-13-23-20/h1-9,12-13,16,19,21H,10-11,14H2/t16-,19?/m0/s1
InChIKeyFMHZGNJHALSDMA-UCFFOFKASA-N
XLogP4.07
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole (CID 66752960) is 2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole is c1ccc(-c2ccccc2OC(c2ncco2)[C@H]2CCNC2)cc1.
What is the InChIKey of 2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The InChIKey is FMHZGNJHALSDMA-UCFFOFKASA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-6-15(7-3-1)17-8-4-5-9-18(17)24-19(16-10-11-21-14-16)20-22-12-13-23-20/h1-9,12-13,16,19,21H,10-11,14H2/t16-,19?/m0/s1.
What are the key properties of 2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole has a molecular weight of 320.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 66752960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).