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

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

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

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Launch Full Analysis

Related Compounds

6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol
CID 128994012
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 128970524
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 128970291
N-[(5-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 128965852
(3R)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]thian-3-amine
CID 129330101
(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
(3S)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]thiolan-3-amine
CID 129330675
1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
CID 75510450
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(oxan-3-yl)methanamine
CID 54906775
5-chloro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrimidin-2-amine
CID 129004564
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
5-[(2R,4R)-4-methoxy-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129429473

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).