2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide

C19H23N3O4 — CID 121279756

IUPAC2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)COc3ccccc3)C2)on1
InChIInChI=1S/C19H23N3O4/c1-13(2)16-10-17(26-21-16)19(24)22-9-8-14(11-22)20-18(23)12-25-15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,20,23)
InChIKeyQAJGFSQVCPKYBC-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.21
Rot. Bonds6

About 2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide

2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 121279756) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID121279756
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)COc3ccccc3)C2)on1
InChIInChI=1S/C19H23N3O4/c1-13(2)16-10-17(26-21-16)19(24)22-9-8-14(11-22)20-18(23)12-25-15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,20,23)
InChIKeyQAJGFSQVCPKYBC-UHFFFAOYSA-N
XLogP2.21
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 70756243
N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555834
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 110119492
2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51324308
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 75464002

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide (CID 121279756) is 2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)COc3ccccc3)C2)on1.
What is the InChIKey of 2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is QAJGFSQVCPKYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(2)16-10-17(26-21-16)19(24)22-9-8-14(11-22)20-18(23)12-25-15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide?
2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 121279756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).