(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

C15H19N5O3 — CID 128985363

IUPAC(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(C3CC3)no2)C1
InChIInChI=1S/C15H19N5O3/c1-8-16-14(18-17-8)12-5-10(22-2)7-20(12)15(21)13-6-11(19-23-13)9-3-4-9/h6,9-10,12H,3-5,7H2,1-2H3,(H,16,17,18)/t10-,12+/m1/s1
InChIKeyOEAZXXSDFUSEJU-PWSUYJOCSA-N
MW317.35 g/mol
LogP1.58
Rot. Bonds4

About (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 128985363) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID128985363
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(C3CC3)no2)C1
InChIInChI=1S/C15H19N5O3/c1-8-16-14(18-17-8)12-5-10(22-2)7-20(12)15(21)13-6-11(19-23-13)9-3-4-9/h6,9-10,12H,3-5,7H2,1-2H3,(H,16,17,18)/t10-,12+/m1/s1
InChIKeyOEAZXXSDFUSEJU-PWSUYJOCSA-N
XLogP1.58
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 128985134
3-(4-fluorophenyl)-1-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 128985133
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 128985237
[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 128985231
(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154765171
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(3-methylpyridazin-4-yl)methanone
CID 128985153
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129400410
(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491287
[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 128982599
3H-benzimidazol-5-yl-[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985332
(3-cyclopropyl-1,2-oxazol-5-yl)-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 128990135
(4,5-diethylfuran-2-yl)-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128966074

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (CID 128985363) is (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(C3CC3)no2)C1.
What is the InChIKey of (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is OEAZXXSDFUSEJU-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-8-16-14(18-17-8)12-5-10(22-2)7-20(12)15(21)13-6-11(19-23-13)9-3-4-9/h6,9-10,12H,3-5,7H2,1-2H3,(H,16,17,18)/t10-,12+/m1/s1.
What are the key properties of (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 317.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128985363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).