3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine

C17H22N2O2 — CID 62588706

IUPAC3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccccc1-c1c(C2CCCCCC2)noc1N
InChIInChI=1S/C17H22N2O2/c1-20-14-11-7-6-10-13(14)15-16(19-21-17(15)18)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9,18H2,1H3
InChIKeyBGQWWMHWBQAONJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.37
Rot. Bonds3

About 3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine

3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 62588706) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID62588706
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccccc1-c1c(C2CCCCCC2)noc1N
InChIInChI=1S/C17H22N2O2/c1-20-14-11-7-6-10-13(14)15-16(19-21-17(15)18)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9,18H2,1H3
InChIKeyBGQWWMHWBQAONJ-UHFFFAOYSA-N
XLogP4.37
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-3-cyclopentyl-1,2-oxazol-5-amine
CID 43336109
5-cyclohexyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198368
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023
3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 54977909
3-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 43335969
4-(2-methoxyphenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 43158239
4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine
CID 82091592
4-(2-methoxyphenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122324
5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole
CID 61337352
3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 43336010
3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 82081360
3-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 43158243

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine (CID 62588706) is 3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine is COc1ccccc1-c1c(C2CCCCCC2)noc1N.
What is the InChIKey of 3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is BGQWWMHWBQAONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-20-14-11-7-6-10-13(14)15-16(19-21-17(15)18)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9,18H2,1H3.
What are the key properties of 3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine?
3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 286.38 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62588706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).