3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one

C19H18N2O3 — CID 20949203

IUPAC3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H18N2O3/c22-18(13-21-16-8-4-5-9-17(16)24-19(21)23)20-11-10-15(12-20)14-6-2-1-3-7-14/h1-9,15H,10-13H2
InChIKeyCMRDUCKDSHSUMC-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.61
Rot. Bonds3

About 3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one

3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one (PubChem CID 20949203) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one
PubChem CID20949203
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H18N2O3/c22-18(13-21-16-8-4-5-9-17(16)24-19(21)23)20-11-10-15(12-20)14-6-2-1-3-7-14/h1-9,15H,10-13H2
InChIKeyCMRDUCKDSHSUMC-UHFFFAOYSA-N
XLogP2.61
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one (CID 20949203) is 3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2ccccc21)N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is CMRDUCKDSHSUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18(13-21-16-8-4-5-9-17(16)24-19(21)23)20-11-10-15(12-20)14-6-2-1-3-7-14/h1-9,15H,10-13H2.
What are the key properties of 3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 322.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 20949203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).