[(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

C13H17N5O3 — CID 128985134

IUPAC[(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
SMILESCO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(C)no2)C1
InChIInChI=1S/C13H17N5O3/c1-7-4-11(21-17-7)13(19)18-6-9(20-3)5-10(18)12-14-8(2)15-16-12/h4,9-10H,5-6H2,1-3H3,(H,14,15,16)/t9-,10+/m1/s1
InChIKeyCINHNWFMXBMBOP-ZJUUUORDSA-N
MW291.31 g/mol
LogP1.01
Rot. Bonds3

About [(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

[(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 (PubChem CID 128985134) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID128985134
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name[(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
SMILESCO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(C)no2)C1
InChIInChI=1S/C13H17N5O3/c1-7-4-11(21-17-7)13(19)18-6-9(20-3)5-10(18)12-14-8(2)15-16-12/h4,9-10H,5-6H2,1-3H3,(H,14,15,16)/t9-,10+/m1/s1
InChIKeyCINHNWFMXBMBOP-ZJUUUORDSA-N
XLogP1.01
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(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 with MolForge

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Related Compounds

(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
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)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 128985231
[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
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 128985237
(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154765171
2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 128975809
[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 128982599
(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491287
(4,5-diethylfuran-2-yl)-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128966074
2-[4-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-2,6-dimethylphenoxy]acetic acid
CID 136583905
1-benzofuran-2-yl-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128985395

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(C)no2)C1.
What is the InChIKey of [(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?
The InChIKey is CINHNWFMXBMBOP-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-7-4-11(21-17-7)13(19)18-6-9(20-3)5-10(18)12-14-8(2)15-16-12/h4,9-10H,5-6H2,1-3H3,(H,14,15,16)/t9-,10+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 291.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 128985134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).