1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine

C16H22N2O2 — CID 115958074

IUPAC1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1c(C)noc1C
InChIInChI=1S/C16H22N2O2/c1-10-6-5-7-14(8-11(2)17)16(10)19-9-15-12(3)18-20-13(15)4/h5-7,11H,8-9,17H2,1-4H3
InChIKeyMHQLLGQARWTBHN-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.07
Rot. Bonds5

About 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine

1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine (PubChem CID 115958074) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine
PubChem CID115958074
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1c(C)noc1C
InChIInChI=1S/C16H22N2O2/c1-10-6-5-7-14(8-11(2)17)16(10)19-9-15-12(3)18-20-13(15)4/h5-7,11H,8-9,17H2,1-4H3
InChIKeyMHQLLGQARWTBHN-UHFFFAOYSA-N
XLogP3.07
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine
CID 112614814
1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine
CID 112615436
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-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958056
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
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-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 112615348
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087
(E)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]prop-2-enoic acid
CID 115957207
4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 103988426

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine (CID 115958074) is 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine is Cc1cccc(CC(C)N)c1OCc1c(C)noc1C.
What is the InChIKey of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine?
The InChIKey is MHQLLGQARWTBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-6-5-7-14(8-11(2)17)16(10)19-9-15-12(3)18-20-13(15)4/h5-7,11H,8-9,17H2,1-4H3.
What are the key properties of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine?
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine has a molecular weight of 274.36 g/mol, XLogP of 3.07, 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]-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 115958074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).