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

C14H18N2O2 — CID 60881964

IUPAC1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCc1c(C)noc1C
InChIInChI=1S/C14H18N2O2/c1-10-13(11(2)18-16-10)9-17-14-7-5-4-6-12(14)8-15-3/h4-7,15H,8-9H2,1-3H3
InChIKeyVTUODZNNVIAXTP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.59
Rot. Bonds5

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

1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 60881964) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID60881964
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCc1c(C)noc1C
InChIInChI=1S/C14H18N2O2/c1-10-13(11(2)18-16-10)9-17-14-7-5-4-6-12(14)8-15-3/h4-7,15H,8-9H2,1-3H3
InChIKeyVTUODZNNVIAXTP-UHFFFAOYSA-N
XLogP2.59
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 103988426
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazine
CID 168530523
(3S)-7-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]-7-azaspiro[3.5]nonan-3-ol
CID 164640023
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43601046
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55728087
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 35146752
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 60878120
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 28825757
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 29363896
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 60881964) is 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccccc1OCc1c(C)noc1C.
What is the InChIKey of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is VTUODZNNVIAXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-13(11(2)18-16-10)9-17-14-7-5-4-6-12(14)8-15-3/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 60881964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).