[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone

C14H17N5O3 — CID 97483276

IUPAC[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1noc([C@]23COC[C@H]2CN(C(=O)c2ccn(C)n2)C3)n1
InChIInChI=1S/C14H17N5O3/c1-9-15-13(22-17-9)14-7-19(5-10(14)6-21-8-14)12(20)11-3-4-18(2)16-11/h3-4,10H,5-8H2,1-2H3/t10-,14-/m1/s1
InChIKeyPFPOUENMCQXPLW-QMTHXVAHSA-N
MW303.32 g/mol
LogP0.15
Rot. Bonds2

About [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone

[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 97483276) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID97483276
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1noc([C@]23COC[C@H]2CN(C(=O)c2ccn(C)n2)C3)n1
InChIInChI=1S/C14H17N5O3/c1-9-15-13(22-17-9)14-7-19(5-10(14)6-21-8-14)12(20)11-3-4-18(2)16-11/h3-4,10H,5-8H2,1-2H3/t10-,14-/m1/s1
InChIKeyPFPOUENMCQXPLW-QMTHXVAHSA-N
XLogP0.15
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 97421356
[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 110203036
(1-ethyl-1H-pyrazol-3-yl)[8-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]dec-2-yl]methanone
CID 87051806
3-{[1-(1-Ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]methyl}-5-(oxan-4-YL)-1,2,4-oxadiazole
CID 91905857
3-Cyclopropyl-5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-(methoxymethyl)pyrrolidin-3-YL]-1,2,4-oxadiazole
CID 110203035
5-Cyclopropyl-3-[1-(1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]-1,2,4-oxadiazole
CID 110875787
3-[2-(Cyclopropylmethoxy)ethyl]-5-[1-(1-ethyl-1H-pyrazole-5-carbonyl)azetidin-3-YL]-1,2,4-oxadiazole
CID 124047472
3-[2-(Cyclopropylmethoxy)ethyl]-5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-YL]-1,2,4-oxadiazole
CID 124047473
5-{4-[(Cyclopropylmethoxy)methyl]-1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-YL}-3-methyl-1,2,4-oxadiazole
CID 124050527
5-{4-[(Cyclopropylmethoxy)methyl]-1-(1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL}-3-methyl-1,2,4-oxadiazole
CID 124050530
(1-ethyl-1H-pyrazol-3-yl)[(3S,4S)-3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone
CID 124050548
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)-4-(methoxymethyl)pyrrolidin-3-YL]-3-methyl-1,2,4-oxadiazole
CID 124050553

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone (CID 97483276) is [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone is Cc1noc([C@]23COC[C@H]2CN(C(=O)c2ccn(C)n2)C3)n1.
What is the InChIKey of [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is PFPOUENMCQXPLW-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9-15-13(22-17-9)14-7-19(5-10(14)6-21-8-14)12(20)11-3-4-18(2)16-11/h3-4,10H,5-8H2,1-2H3/t10-,14-/m1/s1.
What are the key properties of [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone?
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 303.32 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 97483276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).