5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine

C18H22N2O — CID 66198674

IUPAC5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2CC2CC3CCC2C3)c1
InChIInChI=1S/C18H22N2O/c1-11-3-2-4-14(7-11)17-16(21-20-18(17)19)10-15-9-12-5-6-13(15)8-12/h2-4,7,12-13,15H,5-6,8-10H2,1H3,(H2,19,20)
InChIKeyKXFNZMFZRUYVJI-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.21
Rot. Bonds3

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

5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66198674) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66198674
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2CC2CC3CCC2C3)c1
InChIInChI=1S/C18H22N2O/c1-11-3-2-4-14(7-11)17-16(21-20-18(17)19)10-15-9-12-5-6-13(15)8-12/h2-4,7,12-13,15H,5-6,8-10H2,1H3,(H2,19,20)
InChIKeyKXFNZMFZRUYVJI-UHFFFAOYSA-N
XLogP4.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (CID 66198674) is 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is Cc1cccc(-c2c(N)noc2CC2CC3CCC2C3)c1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is KXFNZMFZRUYVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11-3-2-4-14(7-11)17-16(21-20-18(17)19)10-15-9-12-5-6-13(15)8-12/h2-4,7,12-13,15H,5-6,8-10H2,1H3,(H2,19,20).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 282.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).