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

C14H19N5O2 — CID 97477773

IUPAC(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1noc([C@@H]2CO[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)n1
InChIInChI=1S/C14H19N5O2/c1-9-16-14(21-17-9)12-8-20-13-7-19(6-11(12)13)5-10-3-15-18(2)4-10/h3-4,11-13H,5-8H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyVDHXFQAOUNZFQW-JHJVBQTASA-N
MW289.34 g/mol
LogP0.73
Rot. Bonds3

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

(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 97477773) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID97477773
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1noc([C@@H]2CO[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)n1
InChIInChI=1S/C14H19N5O2/c1-9-16-14(21-17-9)12-8-20-13-7-19(6-11(12)13)5-10-3-15-18(2)4-10/h3-4,11-13H,5-8H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyVDHXFQAOUNZFQW-JHJVBQTASA-N
XLogP0.73
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3S,3aR,6aR)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124809106
3-methyl-5-[(2S,3R)-2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
CID 167934478
3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95817558
N-[[(3R,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 125245186
(3S,3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
CID 124817275
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
(3R,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97484194
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 118769589
N-[[(3R,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
CID 133142810
N-[[(3S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155847672
[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol
CID 110202980
3-chloro-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 131002547

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 97477773) is (3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is Cc1noc([C@@H]2CO[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)n1.
What is the InChIKey of (3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is VDHXFQAOUNZFQW-JHJVBQTASA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-16-14(21-17-9)12-8-20-13-7-19(6-11(12)13)5-10-3-15-18(2)4-10/h3-4,11-13H,5-8H2,1-2H3/t11-,12-,13-/m1/s1.
What are the key properties of (3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 289.34 g/mol, XLogP of 0.73, 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)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 97477773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).