2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide

C18H21N3O3 — CID 71854795

IUPAC2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccon1)NC1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C18H21N3O3/c22-17(12-15-9-11-24-20-15)19-16-8-10-21(13-16)18(23)7-6-14-4-2-1-3-5-14/h1-5,9,11,16H,6-8,10,12-13H2,(H,19,22)
InChIKeyGGARKGHKFLKOCP-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.57
Rot. Bonds6

About 2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide

2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide (PubChem CID 71854795) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide
PubChem CID71854795
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccon1)NC1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C18H21N3O3/c22-17(12-15-9-11-24-20-15)19-16-8-10-21(13-16)18(23)7-6-14-4-2-1-3-5-14/h1-5,9,11,16H,6-8,10,12-13H2,(H,19,22)
InChIKeyGGARKGHKFLKOCP-UHFFFAOYSA-N
XLogP1.57
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119339216
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
CID 136534273
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
7-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]heptanamide
CID 119810962
N-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46456295
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119940150
1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 84596884
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940149
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide (CID 71854795) is 2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide is O=C(Cc1ccon1)NC1CCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide?
The InChIKey is GGARKGHKFLKOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17(12-15-9-11-24-20-15)19-16-8-10-21(13-16)18(23)7-6-14-4-2-1-3-5-14/h1-5,9,11,16H,6-8,10,12-13H2,(H,19,22).
What are the key properties of 2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide?
2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide has a molecular weight of 327.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71854795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).