N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine

C16H22N2O2 — CID 62454563

IUPACN-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COc2cc(C)ccc2C(C)C)on1
InChIInChI=1S/C16H22N2O2/c1-11(2)15-6-5-12(3)7-16(15)19-10-14-8-13(9-17-4)18-20-14/h5-8,11,17H,9-10H2,1-4H3
InChIKeyUTABCJOXOALYGF-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.40
Rot. Bonds6

About N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine

N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62454563) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62454563
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COc2cc(C)ccc2C(C)C)on1
InChIInChI=1S/C16H22N2O2/c1-11(2)15-6-5-12(3)7-16(15)19-10-14-8-13(9-17-4)18-20-14/h5-8,11,17H,9-10H2,1-4H3
InChIKeyUTABCJOXOALYGF-UHFFFAOYSA-N
XLogP3.40
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine with MolForge

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Related Compounds

1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62458220
1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62454455
N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62459429
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55077884
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62442813
N-[[5-[(2,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452940
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
1-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-5-methylphenyl]ethanol
CID 66188562
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride
CID 19619566
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 836456

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine (CID 62454563) is N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine is CNCc1cc(COc2cc(C)ccc2C(C)C)on1.
What is the InChIKey of N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is UTABCJOXOALYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)15-6-5-12(3)7-16(15)19-10-14-8-13(9-17-4)18-20-14/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 274.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62454563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).