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

C15H20N2O2 — CID 60880636

IUPACN-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cc(C)no2)cc1
InChIInChI=1S/C15H20N2O2/c1-3-8-16-10-13-4-6-14(7-5-13)18-11-15-9-12(2)17-19-15/h4-7,9,16H,3,8,10-11H2,1-2H3
InChIKeyIKSBHPRQNZWMNW-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.06
Rot. Bonds7

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

N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 60880636) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID60880636
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cc(C)no2)cc1
InChIInChI=1S/C15H20N2O2/c1-3-8-16-10-13-4-6-14(7-5-13)18-11-15-9-12(2)17-19-15/h4-7,9,16H,3,8,10-11H2,1-2H3
InChIKeyIKSBHPRQNZWMNW-UHFFFAOYSA-N
XLogP3.06
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[(4-propylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62548925
N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
CID 66157018
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 63020291
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
N-[[5-[(2,3,6-trimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484979
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-[[4-[(3,4-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 82918137
5-[(3-methyl-1,2-oxazol-5-yl)methoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683923
N-[[2-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62441237
N-[(4-butoxyphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648036

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine (CID 60880636) is N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2cc(C)no2)cc1.
What is the InChIKey of N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is IKSBHPRQNZWMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-8-16-10-13-4-6-14(7-5-13)18-11-15-9-12(2)17-19-15/h4-7,9,16H,3,8,10-11H2,1-2H3.
What are the key properties of N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 60880636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).