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

C17H23N3O3 — CID 154736814

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
SMILESCc1noc([C@@H]2CC[C@H](CNCc3ccc(C4CC4C)o3)O2)n1
InChIInChI=1S/C17H23N3O3/c1-10-7-14(10)15-5-3-12(21-15)8-18-9-13-4-6-16(22-13)17-19-11(2)20-23-17/h3,5,10,13-14,16,18H,4,6-9H2,1-2H3/t10?,13-,14?,16+/m1/s1
InChIKeyPELZNEZCWZGJJH-LBBPNSFFSA-N
MW317.39 g/mol
LogP3.10
Rot. Bonds6

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

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine (PubChem CID 154736814) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
PubChem CID154736814
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
SMILESCc1noc([C@@H]2CC[C@H](CNCc3ccc(C4CC4C)o3)O2)n1
InChIInChI=1S/C17H23N3O3/c1-10-7-14(10)15-5-3-12(21-15)8-18-9-13-4-6-16(22-13)17-19-11(2)20-23-17/h3,5,10,13-14,16,18H,4,6-9H2,1-2H3/t10?,13-,14?,16+/m1/s1
InChIKeyPELZNEZCWZGJJH-LBBPNSFFSA-N
XLogP3.10
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine?
The IUPAC name of 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) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine is Cc1noc([C@@H]2CC[C@H](CNCc3ccc(C4CC4C)o3)O2)n1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine?
The InChIKey is PELZNEZCWZGJJH-LBBPNSFFSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10-7-14(10)15-5-3-12(21-15)8-18-9-13-4-6-16(22-13)17-19-11(2)20-23-17/h3,5,10,13-14,16,18H,4,6-9H2,1-2H3/t10?,13-,14?,16+/m1/s1.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine has a molecular weight of 317.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine is sourced from PubChem (CID 154736814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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