(1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine

C18H25N3O3 — CID 129336640

IUPAC(1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
SMILESCc1noc([C@H](NCc2ccc([C@H]3C[C@H]3C)o2)C2CCOCC2)n1
InChIInChI=1S/C18H25N3O3/c1-11-9-15(11)16-4-3-14(23-16)10-19-17(13-5-7-22-8-6-13)18-20-12(2)21-24-18/h3-4,11,13,15,17,19H,5-10H2,1-2H3/t11-,15+,17-/m1/s1
InChIKeyQZBIGPILLYYOSK-XQAQDONZSA-N
MW331.42 g/mol
LogP3.35
Rot. Bonds6

About (1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine

(1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine (PubChem CID 129336640) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
PubChem CID129336640
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
SMILESCc1noc([C@H](NCc2ccc([C@H]3C[C@H]3C)o2)C2CCOCC2)n1
InChIInChI=1S/C18H25N3O3/c1-11-9-15(11)16-4-3-14(23-16)10-19-17(13-5-7-22-8-6-13)18-20-12(2)21-24-18/h3-4,11,13,15,17,19H,5-10H2,1-2H3/t11-,15+,17-/m1/s1
InChIKeyQZBIGPILLYYOSK-XQAQDONZSA-N
XLogP3.35
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine with MolForge

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Related Compounds

(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 129331035
(1R)-1-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 129378045
N-(1,3-benzodioxol-4-ylmethyl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 128972081
N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 128976686
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 128969499
(2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile
CID 129329577
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 154736814
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43230736
1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine
CID 63476465
(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
CID 78978055
N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 128982422
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine?
The IUPAC name of (1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine (CID 129336640) is (1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine.
What is the SMILES notation for (1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine?
The canonical SMILES for (1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine is Cc1noc([C@H](NCc2ccc([C@H]3C[C@H]3C)o2)C2CCOCC2)n1.
What is the InChIKey of (1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine?
The InChIKey is QZBIGPILLYYOSK-XQAQDONZSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11-9-15(11)16-4-3-14(23-16)10-19-17(13-5-7-22-8-6-13)18-20-12(2)21-24-18/h3-4,11,13,15,17,19H,5-10H2,1-2H3/t11-,15+,17-/m1/s1.
What are the key properties of (1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine?
(1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine has a molecular weight of 331.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 129336640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).