N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine

C15H20N2O2 — CID 79145437

IUPACN-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCCOc1cccc(-c2ocnc2CNCC)c1
InChIInChI=1S/C15H20N2O2/c1-3-8-18-13-7-5-6-12(9-13)15-14(10-16-4-2)17-11-19-15/h5-7,9,11,16H,3-4,8,10H2,1-2H3
InChIKeyFLUPPGCUAZPFIK-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.24
Rot. Bonds7

About N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 79145437) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID79145437
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCCOc1cccc(-c2ocnc2CNCC)c1
InChIInChI=1S/C15H20N2O2/c1-3-8-18-13-7-5-6-12(9-13)15-14(10-16-4-2)17-11-19-15/h5-7,9,11,16H,3-4,8,10H2,1-2H3
InChIKeyFLUPPGCUAZPFIK-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79148073
5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62919017
2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79147968
N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 115354652
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145659
N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114824029
3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 163310411
3-methyl-5-(3-propoxyphenyl)pyridine
CID 143608383
N-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148458
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79140406
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 79145437) is N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCCOc1cccc(-c2ocnc2CNCC)c1.
What is the InChIKey of N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is FLUPPGCUAZPFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-8-18-13-7-5-6-12(9-13)15-14(10-16-4-2)17-11-19-15/h5-7,9,11,16H,3-4,8,10H2,1-2H3.
What are the key properties of N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79145437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).