[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine

C14H18N2O2 — CID 60879041

IUPAC[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
SMILESCc1cc(COc2c(C)cc(CN)cc2C)on1
InChIInChI=1S/C14H18N2O2/c1-9-4-12(7-15)5-10(2)14(9)17-8-13-6-11(3)16-18-13/h4-6H,7-8,15H2,1-3H3
InChIKeyXKRZIMYUFFQRRI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.64
Rot. Bonds4

About [3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine

[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 60879041) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
PubChem CID60879041
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
SMILESCc1cc(COc2c(C)cc(CN)cc2C)on1
InChIInChI=1S/C14H18N2O2/c1-9-4-12(7-15)5-10(2)14(9)17-8-13-6-11(3)16-18-13/h4-6H,7-8,15H2,1-3H3
InChIKeyXKRZIMYUFFQRRI-UHFFFAOYSA-N
XLogP2.64
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 63044789
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine
CID 66188973
[3,5-dimethyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495368
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-nitrophenyl]methanamine
CID 62114456
[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine
CID 61497179
2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109
[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 82085819
3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
CID 112611517
5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole
CID 71995338

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine (CID 60879041) is [3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine is Cc1cc(COc2c(C)cc(CN)cc2C)on1.
What is the InChIKey of [3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is XKRZIMYUFFQRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-4-12(7-15)5-10(2)14(9)17-8-13-6-11(3)16-18-13/h4-6H,7-8,15H2,1-3H3.
What are the key properties of [3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60879041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).