4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine

C22H30FN3O2 — CID 161115165

IUPAC4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cccc(C2COC(NC3=NC(CCC4CCCCC4)C(C)O3)=N2)c1F
InChIInChI=1S/C22H30FN3O2/c1-14-7-6-10-17(20(14)23)19-13-27-21(25-19)26-22-24-18(15(2)28-22)12-11-16-8-4-3-5-9-16/h6-7,10,15-16,18-19H,3-5,8-9,11-13H2,1-2H3,(H,24,25,26)
InChIKeyJWZJMLZPAAHLKD-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.65
Rot. Bonds4

About 4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine

4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 161115165) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID161115165
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cccc(C2COC(NC3=NC(CCC4CCCCC4)C(C)O3)=N2)c1F
InChIInChI=1S/C22H30FN3O2/c1-14-7-6-10-17(20(14)23)19-13-27-21(25-19)26-22-24-18(15(2)28-22)12-11-16-8-4-3-5-9-16/h6-7,10,15-16,18-19H,3-5,8-9,11-13H2,1-2H3,(H,24,25,26)
InChIKeyJWZJMLZPAAHLKD-UHFFFAOYSA-N
XLogP4.65
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine (CID 161115165) is 4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine is Cc1cccc(C2COC(NC3=NC(CCC4CCCCC4)C(C)O3)=N2)c1F.
What is the InChIKey of 4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is JWZJMLZPAAHLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-14-7-6-10-17(20(14)23)19-13-27-21(25-19)26-22-24-18(15(2)28-22)12-11-16-8-4-3-5-9-16/h6-7,10,15-16,18-19H,3-5,8-9,11-13H2,1-2H3,(H,24,25,26).
What are the key properties of 4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine?
4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 387.50 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 161115165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).