[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C19H19N3O3 — CID 72934559

IUPAC[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCc1ccc([C@H]2CN(C(=O)c3cc(-c4ccccc4)on3)C[C@@H]2N)o1
InChIInChI=1S/C19H19N3O3/c1-12-7-8-17(24-12)14-10-22(11-15(14)20)19(23)16-9-18(25-21-16)13-5-3-2-4-6-13/h2-9,14-15H,10-11,20H2,1H3/t14-,15-/m0/s1
InChIKeySTAKRNSVJAECQB-GJZGRUSLSA-N
MW337.38 g/mol
LogP2.81
Rot. Bonds3

About [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 72934559) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID72934559
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCc1ccc([C@H]2CN(C(=O)c3cc(-c4ccccc4)on3)C[C@@H]2N)o1
InChIInChI=1S/C19H19N3O3/c1-12-7-8-17(24-12)14-10-22(11-15(14)20)19(23)16-9-18(25-21-16)13-5-3-2-4-6-13/h2-9,14-15H,10-11,20H2,1H3/t14-,15-/m0/s1
InChIKeySTAKRNSVJAECQB-GJZGRUSLSA-N
XLogP2.81
TPSA85.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 156604168
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120747391
(3S,4S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950441
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[5-(3-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 92757207
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 72901820
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158157
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 56865341
benzyl N-[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]azetidin-3-yl]carbamate
CID 146024142

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 72934559) is [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is Cc1ccc([C@H]2CN(C(=O)c3cc(-c4ccccc4)on3)C[C@@H]2N)o1.
What is the InChIKey of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is STAKRNSVJAECQB-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-7-8-17(24-12)14-10-22(11-15(14)20)19(23)16-9-18(25-21-16)13-5-3-2-4-6-13/h2-9,14-15H,10-11,20H2,1H3/t14-,15-/m0/s1.
What are the key properties of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 72934559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).