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

C16H22N2O — CID 106387943

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1ncc(C)o1)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-4-8-15(14-9-6-5-7-10-14)18-13(3)16-17-11-12(2)19-16/h5-7,9-11,13,15,18H,4,8H2,1-3H3
InChIKeyKHKKBPPUGQJFSI-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.18
Rot. Bonds6

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine (PubChem CID 106387943) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine
PubChem CID106387943
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1ncc(C)o1)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-4-8-15(14-9-6-5-7-10-14)18-13(3)16-17-11-12(2)19-16/h5-7,9-11,13,15,18H,4,8H2,1-3H3
InChIKeyKHKKBPPUGQJFSI-UHFFFAOYSA-N
XLogP4.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43684931
1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387901
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
1-(2-fluorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387884
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 103893462
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932
1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 103893469
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine (CID 106387943) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine is CCCC(NC(C)c1ncc(C)o1)c1ccccc1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is KHKKBPPUGQJFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-8-15(14-9-6-5-7-10-14)18-13(3)16-17-11-12(2)19-16/h5-7,9-11,13,15,18H,4,8H2,1-3H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 106387943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).