N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine

C16H22N2O2 — CID 103275364

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CNCc2ncc(CC)o2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-9-19-15-7-5-13(6-8-15)10-17-12-16-18-11-14(4-2)20-16/h5-8,11,17H,3-4,9-10,12H2,1-2H3
InChIKeyGSCBGTAKASQDCT-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.32
Rot. Bonds8

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine (PubChem CID 103275364) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine
PubChem CID103275364
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CNCc2ncc(CC)o2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-9-19-15-7-5-13(6-8-15)10-17-12-16-18-11-14(4-2)20-16/h5-8,11,17H,3-4,9-10,12H2,1-2H3
InChIKeyGSCBGTAKASQDCT-UHFFFAOYSA-N
XLogP3.32
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 106371023
4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 104969494
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 103275184
1-(3,4-difluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275334
1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096722
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 103275149
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 106371557
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 104889468
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 104889435
1-(4-bromo-3-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275273
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
CID 106369292
3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine
CID 106369566

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine (CID 103275364) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(CNCc2ncc(CC)o2)cc1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine?
The InChIKey is GSCBGTAKASQDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-9-19-15-7-5-13(6-8-15)10-17-12-16-18-11-14(4-2)20-16/h5-8,11,17H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine has a molecular weight of 274.36 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 103275364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).