2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide

C22H23N3O3 — CID 52508728

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C22H23N3O3/c26-21(15-18-17-10-4-5-11-20(17)28-24-18)23-19(14-16-8-2-1-3-9-16)22(27)25-12-6-7-13-25/h1-5,8-11,19H,6-7,12-15H2,(H,23,26)/t19-/m0/s1
InChIKeyUDYHOYYOYPTERV-IBGZPJMESA-N
MW377.44 g/mol
LogP2.72
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide (PubChem CID 52508728) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
PubChem CID52508728
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C22H23N3O3/c26-21(15-18-17-10-4-5-11-20(17)28-24-18)23-19(14-16-8-2-1-3-9-16)22(27)25-12-6-7-13-25/h1-5,8-11,19H,6-7,12-15H2,(H,23,26)/t19-/m0/s1
InChIKeyUDYHOYYOYPTERV-IBGZPJMESA-N
XLogP2.72
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide (CID 52508728) is 2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide is O=C(Cc1noc2ccccc12)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The InChIKey is UDYHOYYOYPTERV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(15-18-17-10-4-5-11-20(17)28-24-18)23-19(14-16-8-2-1-3-9-16)22(27)25-12-6-7-13-25/h1-5,8-11,19H,6-7,12-15H2,(H,23,26)/t19-/m0/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 52508728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).