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

C16H23N3O2 — CID 61495423

IUPACN-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCCCc1nc(COc2cccc(CNC(C)C)c2)no1
InChIInChI=1S/C16H23N3O2/c1-4-6-16-18-15(19-21-16)11-20-14-8-5-7-13(9-14)10-17-12(2)3/h5,7-9,12,17H,4,6,10-11H2,1-3H3
InChIKeyPHMCWCPVSKEYKH-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.10
Rot. Bonds8

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

N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 61495423) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID61495423
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCCCc1nc(COc2cccc(CNC(C)C)c2)no1
InChIInChI=1S/C16H23N3O2/c1-4-6-16-18-15(19-21-16)11-20-14-8-5-7-13(9-14)10-17-12(2)3/h5,7-9,12,17H,4,6,10-11H2,1-3H3
InChIKeyPHMCWCPVSKEYKH-UHFFFAOYSA-N
XLogP3.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61495422
N-methyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495346
2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61495355
N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 60881291
3-[(4-bromo-3-methylphenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 81300449
N-[[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-2-amine
CID 66157217
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28782950
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 60879242
4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol
CID 61495563
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61496946
1-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54961430

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (CID 61495423) is N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is CCCc1nc(COc2cccc(CNC(C)C)c2)no1.
What is the InChIKey of N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is PHMCWCPVSKEYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-6-16-18-15(19-21-16)11-20-14-8-5-7-13(9-14)10-17-12(2)3/h5,7-9,12,17H,4,6,10-11H2,1-3H3.
What are the key properties of N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 61495423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).