(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide

C15H22N6O3 — CID 91923307

IUPAC(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOCc1noc([C@@H]2CN(Cc3cc(C)nn3C)C[C@H]2C(N)=O)n1
InChIInChI=1S/C15H22N6O3/c1-9-4-10(20(2)18-9)5-21-6-11(14(16)22)12(7-21)15-17-13(8-23-3)19-24-15/h4,11-12H,5-8H2,1-3H3,(H2,16,22)/t11-,12-/m1/s1
InChIKeyCBKFTBVOSGPHPK-VXGBXAGGSA-N
MW334.38 g/mol
LogP-0.04
Rot. Bonds6

About (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide

(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 91923307) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID91923307
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC Name(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOCc1noc([C@@H]2CN(Cc3cc(C)nn3C)C[C@H]2C(N)=O)n1
InChIInChI=1S/C15H22N6O3/c1-9-4-10(20(2)18-9)5-21-6-11(14(16)22)12(7-21)15-17-13(8-23-3)19-24-15/h4,11-12H,5-8H2,1-3H3,(H2,16,22)/t11-,12-/m1/s1
InChIKeyCBKFTBVOSGPHPK-VXGBXAGGSA-N
XLogP-0.04
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide (CID 91923307) is (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide is COCc1noc([C@@H]2CN(Cc3cc(C)nn3C)C[C@H]2C(N)=O)n1.
What is the InChIKey of (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is CBKFTBVOSGPHPK-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-9-4-10(20(2)18-9)5-21-6-11(14(16)22)12(7-21)15-17-13(8-23-3)19-24-15/h4,11-12H,5-8H2,1-3H3,(H2,16,22)/t11-,12-/m1/s1.
What are the key properties of (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 91923307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).