N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine

C16H22N2O3 — CID 60883561

IUPACN-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)ccc1OCc1cc(C)no1
InChIInChI=1S/C16H22N2O3/c1-11(2)17-9-13-5-6-15(16(8-13)19-4)20-10-14-7-12(3)18-21-14/h5-8,11,17H,9-10H2,1-4H3
InChIKeyVQJDZEUEZPGWIR-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.07
Rot. Bonds7

About N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine

N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 60883561) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID60883561
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)ccc1OCc1cc(C)no1
InChIInChI=1S/C16H22N2O3/c1-11(2)17-9-13-5-6-15(16(8-13)19-4)20-10-14-7-12(3)18-21-14/h5-8,11,17H,9-10H2,1-4H3
InChIKeyVQJDZEUEZPGWIR-UHFFFAOYSA-N
XLogP3.07
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63045528
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
N-[[6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79150848
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392
N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60880953
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357
1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60908446
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
N-[[5-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782711
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 60882435
N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 39356684
N-[[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 107668507

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine (CID 60883561) is N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine is COc1cc(CNC(C)C)ccc1OCc1cc(C)no1.
What is the InChIKey of N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is VQJDZEUEZPGWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)17-9-13-5-6-15(16(8-13)19-4)20-10-14-7-12(3)18-21-14/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 290.36 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60883561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).