2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine

C15H19ClN2O2 — CID 82140382

IUPAC2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
SMILESCOc1ccc(Cl)cc1C(CN)Cc1c(C)noc1C
InChIInChI=1S/C15H19ClN2O2/c1-9-13(10(2)20-18-9)6-11(8-17)14-7-12(16)4-5-15(14)19-3/h4-5,7,11H,6,8,17H2,1-3H3
InChIKeyCYYBMGBBIVCMMF-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.24
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine

2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine (PubChem CID 82140382) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
PubChem CID82140382
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
SMILESCOc1ccc(Cl)cc1C(CN)Cc1c(C)noc1C
InChIInChI=1S/C15H19ClN2O2/c1-9-13(10(2)20-18-9)6-11(8-17)14-7-12(16)4-5-15(14)19-3/h4-5,7,11H,6,8,17H2,1-3H3
InChIKeyCYYBMGBBIVCMMF-UHFFFAOYSA-N
XLogP3.24
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 82140353
2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835574
2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine
CID 82141384
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141454
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864865
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 11747157
2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 82501011
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]methanamine
CID 60879250

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine (CID 82140382) is 2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine is COc1ccc(Cl)cc1C(CN)Cc1c(C)noc1C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
The InChIKey is CYYBMGBBIVCMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-9-13(10(2)20-18-9)6-11(8-17)14-7-12(16)4-5-15(14)19-3/h4-5,7,11H,6,8,17H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine has a molecular weight of 294.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine is sourced from PubChem (CID 82140382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).