N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine

C17H24N2O — CID 103912804

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine
SMILESCCc1cnc(CNC(CC(C)C)c2ccccc2)o1
InChIInChI=1S/C17H24N2O/c1-4-15-11-19-17(20-15)12-18-16(10-13(2)3)14-8-6-5-7-9-14/h5-9,11,13,16,18H,4,10,12H2,1-3H3
InChIKeyIEPJMGNSRPRENA-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.11
Rot. Bonds7

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine (PubChem CID 103912804) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine
PubChem CID103912804
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine
SMILESCCc1cnc(CNC(CC(C)C)c2ccccc2)o1
InChIInChI=1S/C17H24N2O/c1-4-15-11-19-17(20-15)12-18-16(10-13(2)3)14-8-6-5-7-9-14/h5-9,11,13,16,18H,4,10,12H2,1-3H3
InChIKeyIEPJMGNSRPRENA-UHFFFAOYSA-N
XLogP4.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103912622
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 113246407
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 103913333
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
CID 106370852
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutan-2-ol
CID 106368581
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
CID 106369024
1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106368810
3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
CID 43080193
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine
CID 106394842
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine
CID 61017076
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
CID 114698805
(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine (CID 103912804) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine is CCc1cnc(CNC(CC(C)C)c2ccccc2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine?
The InChIKey is IEPJMGNSRPRENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-15-11-19-17(20-15)12-18-16(10-13(2)3)14-8-6-5-7-9-14/h5-9,11,13,16,18H,4,10,12H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 103912804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).