N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine

C17H24N2O — CID 103275194

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine
SMILESCCc1cnc(CNC(C)CCc2cccc(C)c2)o1
InChIInChI=1S/C17H24N2O/c1-4-16-11-19-17(20-16)12-18-14(3)8-9-15-7-5-6-13(2)10-15/h5-7,10-11,14,18H,4,8-9,12H2,1-3H3
InChIKeyHJUXMAQNAAKPBH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.66
Rot. Bonds7

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine (PubChem CID 103275194) 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]-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine
PubChem CID103275194
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine
SMILESCCc1cnc(CNC(C)CCc2cccc(C)c2)o1
InChIInChI=1S/C17H24N2O/c1-4-16-11-19-17(20-16)12-18-14(3)8-9-15-7-5-6-13(2)10-15/h5-7,10-11,14,18H,4,8-9,12H2,1-3H3
InChIKeyHJUXMAQNAAKPBH-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 61171888
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 115711448
4-(3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 79230814
2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
CID 61169167
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 113246407
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine (CID 103275194) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine is CCc1cnc(CNC(C)CCc2cccc(C)c2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine?
The InChIKey is HJUXMAQNAAKPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-16-11-19-17(20-16)12-18-14(3)8-9-15-7-5-6-13(2)10-15/h5-7,10-11,14,18H,4,8-9,12H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(3-methylphenyl)butan-2-amine has a molecular weight of 272.39 g/mol, XLogP of 3.66, 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]-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 103275194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).