4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine

C16H20N2O — CID 116832483

IUPAC4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2ccc(C3CCCCC3)cc2)co1
InChIInChI=1S/C16H20N2O/c1-17-16-18-15(11-19-16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,17,18)
InChIKeyQQSBOIGETLWBMN-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.43
Rot. Bonds3

About 4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine

4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine (PubChem CID 116832483) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine
PubChem CID116832483
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2ccc(C3CCCCC3)cc2)co1
InChIInChI=1S/C16H20N2O/c1-17-16-18-15(11-19-16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,17,18)
InChIKeyQQSBOIGETLWBMN-UHFFFAOYSA-N
XLogP4.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-cyclohexylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82299703
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
ethyl (1E)-N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]methanimidate
CID 19738252
[3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82482333
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine
CID 116506889
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 82305684
3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117459623

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine (CID 116832483) is 4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine is CNc1nc(-c2ccc(C3CCCCC3)cc2)co1.
What is the InChIKey of 4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine?
The InChIKey is QQSBOIGETLWBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-16-18-15(11-19-16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine?
4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine has a molecular weight of 256.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).