N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine

C14H18N2O2 — CID 114783023

IUPACN-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine
SMILESc1ccc(CNCCCOCc2ccno2)cc1
InChIInChI=1S/C14H18N2O2/c1-2-5-13(6-3-1)11-15-8-4-10-17-12-14-7-9-16-18-14/h1-3,5-7,9,15H,4,8,10-12H2
InChIKeySOWFXJNTEHPIEV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.37
Rot. Bonds8

About N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine

N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine (PubChem CID 114783023) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine
PubChem CID114783023
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine
SMILESc1ccc(CNCCCOCc2ccno2)cc1
InChIInChI=1S/C14H18N2O2/c1-2-5-13(6-3-1)11-15-8-4-10-17-12-14-7-9-16-18-14/h1-3,5-7,9,15H,4,8,10-12H2
InChIKeySOWFXJNTEHPIEV-UHFFFAOYSA-N
XLogP2.37
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.37
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-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944
N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
CID 114783024
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
3-[3-(benzylamino)propoxymethyl]phenol
CID 114782855
N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine
CID 114782979
N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
CID 114782959
3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine
CID 107307020
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484369

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine?
The IUPAC name of N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine (CID 114783023) is N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine?
The canonical SMILES for N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine is c1ccc(CNCCCOCc2ccno2)cc1.
What is the InChIKey of N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine?
The InChIKey is SOWFXJNTEHPIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-5-13(6-3-1)11-15-8-4-10-17-12-14-7-9-16-18-14/h1-3,5-7,9,15H,4,8,10-12H2.
What are the key properties of N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine?
N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine is sourced from PubChem (CID 114783023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).