[5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

C17H21N3O2 — CID 95128403

IUPAC[5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)no1
InChIInChI=1S/C17H21N3O2/c1-12(2)10-13-11-15(19-22-13)17(21)20-9-5-7-16(20)14-6-3-4-8-18-14/h3-4,6,8,11-12,16H,5,7,9-10H2,1-2H3/t16-/m0/s1
InChIKeySYLRVVAXUZYACL-INIZCTEOSA-N
MW299.37 g/mol
LogP3.25
Rot. Bonds4

About [5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

[5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (PubChem CID 95128403) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
PubChem CID95128403
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)no1
InChIInChI=1S/C17H21N3O2/c1-12(2)10-13-11-15(19-22-13)17(21)20-9-5-7-16(20)14-6-3-4-8-18-14/h3-4,6,8,11-12,16H,5,7,9-10H2,1-2H3/t16-/m0/s1
InChIKeySYLRVVAXUZYACL-INIZCTEOSA-N
XLogP3.25
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 50964981
[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 45233636
5-[(2R)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136572
5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136573
[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
CID 91839043
5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 154889805
[(2R)-2-pyridin-2-ylpiperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 25289044
(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92736228
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 125161463
[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 91782819

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (CID 95128403) is [5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)no1.
What is the InChIKey of [5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is SYLRVVAXUZYACL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)10-13-11-15(19-22-13)17(21)20-9-5-7-16(20)14-6-3-4-8-18-14/h3-4,6,8,11-12,16H,5,7,9-10H2,1-2H3/t16-/m0/s1.
What are the key properties of [5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
[5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95128403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).