N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine

C16H21N3O2 — CID 61496946

IUPACN-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCc2noc(C3CC3)n2)c1
InChIInChI=1S/C16H21N3O2/c1-2-8-17-10-12-4-3-5-14(9-12)20-11-15-18-16(21-19-15)13-6-7-13/h3-5,9,13,17H,2,6-8,10-11H2,1H3
InChIKeyPQMHXVFUEVCSFG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.03
Rot. Bonds8

About N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 61496946) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID61496946
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCc2noc(C3CC3)n2)c1
InChIInChI=1S/C16H21N3O2/c1-2-8-17-10-12-4-3-5-14(9-12)20-11-15-18-16(21-19-15)13-6-7-13/h3-5,9,13,17H,2,6-8,10-11H2,1H3
InChIKeyPQMHXVFUEVCSFG-UHFFFAOYSA-N
XLogP3.03
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61495422
2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61496904
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 54959696
N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 60881291
N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045674
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 39368953
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61495423
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 61495662
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 105402373
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (CID 61496946) is N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCc2noc(C3CC3)n2)c1.
What is the InChIKey of N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is PQMHXVFUEVCSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-8-17-10-12-4-3-5-14(9-12)20-11-15-18-16(21-19-15)13-6-7-13/h3-5,9,13,17H,2,6-8,10-11H2,1H3.
What are the key properties of N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61496946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).