5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine

C17H20N2O2 — CID 66200884

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2c(N)noc2C2CC3CCC2C3)c1
InChIInChI=1S/C17H20N2O2/c1-20-13-4-2-3-12(9-13)15-16(21-19-17(15)18)14-8-10-5-6-11(14)7-10/h2-4,9-11,14H,5-8H2,1H3,(H2,18,19)
InChIKeyDAWFRPGWHJYCPH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.84
Rot. Bonds3

About 5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine

5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 66200884) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID66200884
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2c(N)noc2C2CC3CCC2C3)c1
InChIInChI=1S/C17H20N2O2/c1-20-13-4-2-3-12(9-13)15-16(21-19-17(15)18)14-8-10-5-6-11(14)7-10/h2-4,9-11,14H,5-8H2,1H3,(H2,18,19)
InChIKeyDAWFRPGWHJYCPH-UHFFFAOYSA-N
XLogP3.84
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66200693
5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66201888
5-(2-bicyclo[2.2.1]heptanyl)-4-bromo-1,2-oxazol-3-amine
CID 79556616
5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 114249586
5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66197889
4-(3-methoxyphenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66200696
5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 107967198
3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263124
5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133344398
5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199569
2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
CID 65018013
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine (CID 66200884) is 5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine is COc1cccc(-c2c(N)noc2C2CC3CCC2C3)c1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is DAWFRPGWHJYCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-13-4-2-3-12(9-13)15-16(21-19-17(15)18)14-8-10-5-6-11(14)7-10/h2-4,9-11,14H,5-8H2,1H3,(H2,18,19).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 284.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).