5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine

C18H24N2O — CID 66199268

IUPAC5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2CCC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O/c1-13-7-10-15(11-8-13)17-16(21-20-18(17)19)12-9-14-5-3-2-4-6-14/h7-8,10-11,14H,2-6,9,12H2,1H3,(H2,19,20)
InChIKeyDNZVYAKSAFNRJH-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.75
Rot. Bonds4

About 5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine

5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66199268) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66199268
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2CCC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O/c1-13-7-10-15(11-8-13)17-16(21-20-18(17)19)12-9-14-5-3-2-4-6-14/h7-8,10-11,14H,2-6,9,12H2,1H3,(H2,19,20)
InChIKeyDNZVYAKSAFNRJH-UHFFFAOYSA-N
XLogP4.75
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (CID 66199268) is 5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2CCC2CCCCC2)cc1.
What is the InChIKey of 5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is DNZVYAKSAFNRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-7-10-15(11-8-13)17-16(21-20-18(17)19)12-9-14-5-3-2-4-6-14/h7-8,10-11,14H,2-6,9,12H2,1H3,(H2,19,20).
What are the key properties of 5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 284.40 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).