[(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

C16H21N5O3 — CID 97477744

IUPAC[(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1C[C@H]2[C@@H](C1)OC[C@H]2c1nc(C)no1
InChIInChI=1S/C16H21N5O3/c1-4-21-13(5-9(2)18-21)16(22)20-6-11-12(8-23-14(11)7-20)15-17-10(3)19-24-15/h5,11-12,14H,4,6-8H2,1-3H3/t11-,12-,14-/m1/s1
InChIKeyMJDCBXQTYPZYOG-YRGRVCCFSA-N
MW331.38 g/mol
LogP1.16
Rot. Bonds3

About [(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

[(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 97477744) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is [(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID97477744
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name[(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1C[C@H]2[C@@H](C1)OC[C@H]2c1nc(C)no1
InChIInChI=1S/C16H21N5O3/c1-4-21-13(5-9(2)18-21)16(22)20-6-11-12(8-23-14(11)7-20)15-17-10(3)19-24-15/h5,11-12,14H,4,6-8H2,1-3H3/t11-,12-,14-/m1/s1
InChIKeyMJDCBXQTYPZYOG-YRGRVCCFSA-N
XLogP1.16
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[(2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97369316
[(2S,3aS,6aS)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97392513
1-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)-3-[3-(oxan-4-YL)-1,2,4-oxadiazol-5-YL]piperidine
CID 91918778
(1,3-dimethyl-1H-pyrazol-5-yl)[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)piperidino]methanone
CID 91918779
3-[2-(Cyclopentylmethoxy)ethyl]-5-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-YL]-1,2,4-oxadiazole
CID 124044111
5-{4-[(Cyclopropylmethoxy)methyl]-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-YL}-3-methyl-1,2,4-oxadiazole
CID 124050528
[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97206920
(1,5-dimethylpyrazol-3-yl)-[(3S)-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 99753473
(2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 99753529
(1,3-Dimethyl-1H-pyrazol-5-YL)[3-fluoro-3-(3-tetrahydro-2H-pyran-4-YL-1,2,4-oxadiazol-5-YL)-1-pyrrolidinyl]methanone
CID 137893091
[(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97369254
5-{(2S)-1-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-2-pyrrolidinyl}-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 70722232

Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 97477744) is [(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)N1C[C@H]2[C@@H](C1)OC[C@H]2c1nc(C)no1.
What is the InChIKey of [(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is MJDCBXQTYPZYOG-YRGRVCCFSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-4-21-13(5-9(2)18-21)16(22)20-6-11-12(8-23-14(11)7-20)15-17-10(3)19-24-15/h5,11-12,14H,4,6-8H2,1-3H3/t11-,12-,14-/m1/s1.
What are the key properties of [(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
[(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 331.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 97477744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).