(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

C19H25N3O2 — CID 125005114

IUPAC(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
SMILESCc1onc(C(C)C)c1C(=O)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C19H25N3O2/c1-13(2)18-17(14(3)24-21-18)19(23)22-12-4-5-16(22)7-6-15-8-10-20-11-9-15/h8-11,13,16H,4-7,12H2,1-3H3/t16-/m0/s1
InChIKeyTWYJIIUDINXOME-INIZCTEOSA-N
MW327.43 g/mol
LogP3.74
Rot. Bonds5

About (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone (PubChem CID 125005114) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
PubChem CID125005114
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
SMILESCc1onc(C(C)C)c1C(=O)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C19H25N3O2/c1-13(2)18-17(14(3)24-21-18)19(23)22-12-4-5-16(22)7-6-15-8-10-20-11-9-15/h8-11,13,16H,4-7,12H2,1-3H3/t16-/m0/s1
InChIKeyTWYJIIUDINXOME-INIZCTEOSA-N
XLogP3.74
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125014760
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124994004
[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124969741
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 124995807
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110104434
2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926021
[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 92617256
N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 124948555
[1-(4-methoxyphenyl)cyclopropyl]-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124954939
[2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 155882087
3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 125012369

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone (CID 125005114) is (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone is Cc1onc(C(C)C)c1C(=O)N1CCC[C@H]1CCc1ccncc1.
What is the InChIKey of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is TWYJIIUDINXOME-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)18-17(14(3)24-21-18)19(23)22-12-4-5-16(22)7-6-15-8-10-20-11-9-15/h8-11,13,16H,4-7,12H2,1-3H3/t16-/m0/s1.
What are the key properties of (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125005114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).