N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine

C16H22N2O — CID 104787618

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCc1nc(C)c(C)o1
InChIInChI=1S/C16H22N2O/c1-4-15(10-14-8-6-5-7-9-14)17-11-16-18-12(2)13(3)19-16/h5-9,15,17H,4,10-11H2,1-3H3
InChIKeyUUAQFDAUIHDTPX-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.40
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine (PubChem CID 104787618) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine
PubChem CID104787618
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCc1nc(C)c(C)o1
InChIInChI=1S/C16H22N2O/c1-4-15(10-14-8-6-5-7-9-14)17-11-16-18-12(2)13(3)19-16/h5-9,15,17H,4,10-11H2,1-3H3
InChIKeyUUAQFDAUIHDTPX-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine
CID 75458147
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 103795817
N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine
CID 79008069
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 62109509
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 102673147
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine
CID 79007946
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 106370255
1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54964828
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 79008837
N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 78924574
1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578514
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine (CID 104787618) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NCc1nc(C)c(C)o1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine?
The InChIKey is UUAQFDAUIHDTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-15(10-14-8-6-5-7-9-14)17-11-16-18-12(2)13(3)19-16/h5-9,15,17H,4,10-11H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine is sourced from PubChem (CID 104787618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).