(3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol

C19H31N5O2 — CID 129343347

IUPAC(3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
SMILESCc1nnc(CN(C)[C@@H]2CN(Cc3cccn3CCC(C)C)C[C@H]2O)o1
InChIInChI=1S/C19H31N5O2/c1-14(2)7-9-24-8-5-6-16(24)10-23-11-17(18(25)12-23)22(4)13-19-21-20-15(3)26-19/h5-6,8,14,17-18,25H,7,9-13H2,1-4H3/t17-,18-/m1/s1
InChIKeyWNDIPJYNMRFMTB-QZTJIDSGSA-N
MW361.49 g/mol
LogP1.90
Rot. Bonds8

About (3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol

(3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol (PubChem CID 129343347) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
PubChem CID129343347
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
SMILESCc1nnc(CN(C)[C@@H]2CN(Cc3cccn3CCC(C)C)C[C@H]2O)o1
InChIInChI=1S/C19H31N5O2/c1-14(2)7-9-24-8-5-6-16(24)10-23-11-17(18(25)12-23)22(4)13-19-21-20-15(3)26-19/h5-6,8,14,17-18,25H,7,9-13H2,1-4H3/t17-,18-/m1/s1
InChIKeyWNDIPJYNMRFMTB-QZTJIDSGSA-N
XLogP1.90
TPSA70.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol (CID 129343347) is (3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol is Cc1nnc(CN(C)[C@@H]2CN(Cc3cccn3CCC(C)C)C[C@H]2O)o1.
What is the InChIKey of (3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol?
The InChIKey is WNDIPJYNMRFMTB-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14(2)7-9-24-8-5-6-16(24)10-23-11-17(18(25)12-23)22(4)13-19-21-20-15(3)26-19/h5-6,8,14,17-18,25H,7,9-13H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol?
(3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol has a molecular weight of 361.49 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol is sourced from PubChem (CID 129343347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).