1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine

C14H18N2O2 — CID 112615436

IUPAC1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1ccno1
InChIInChI=1S/C14H18N2O2/c1-10-4-3-5-12(8-11(2)15)14(10)17-9-13-6-7-16-18-13/h3-7,11H,8-9,15H2,1-2H3
InChIKeyQOYPFIRUAHXXAM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds5

About 1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine

1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine (PubChem CID 112615436) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine
PubChem CID112615436
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1ccno1
InChIInChI=1S/C14H18N2O2/c1-10-4-3-5-12(8-11(2)15)14(10)17-9-13-6-7-16-18-13/h3-7,11H,8-9,15H2,1-2H3
InChIKeyQOYPFIRUAHXXAM-UHFFFAOYSA-N
XLogP2.45
TPSA61.28 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 115958083
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958074
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958056
1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 112615348
1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115982350
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
1-[3-methyl-2-(3-methylsulfanylpropoxy)phenyl]propan-2-amine
CID 113474040
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine (CID 112615436) is 1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine is Cc1cccc(CC(C)N)c1OCc1ccno1.
What is the InChIKey of 1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is QOYPFIRUAHXXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-4-3-5-12(8-11(2)15)14(10)17-9-13-6-7-16-18-13/h3-7,11H,8-9,15H2,1-2H3.
What are the key properties of 1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine?
1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 112615436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).