2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C17H23NO — CID 15880000

IUPAC2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2C2CCCCC2)=N1
InChIInChI=1S/C17H23NO/c1-17(2)12-19-16(18-17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyONUBMPTUJUGTPZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.29
Rot. Bonds2

About 2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 15880000) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID15880000
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2C2CCCCC2)=N1
InChIInChI=1S/C17H23NO/c1-17(2)12-19-16(18-17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyONUBMPTUJUGTPZ-UHFFFAOYSA-N
XLogP4.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 10583839
4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
CID 13047584
4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
CID 688301
4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
CID 4299365
carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
CID 11823541
2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 121223809
dizinc;bis([2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-propylazanide);phenylmethanolate
CID 139157383
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol
CID 135501614
(1R,2S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N,N,2-tris(prop-2-enyl)-1,2-dihydronaphthalen-1-amine
CID 10784892
2-cyclohexylphenolate
CID 21162907
N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline
CID 101437695
2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 10848489

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 15880000) is 2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccccc2C2CCCCC2)=N1.
What is the InChIKey of 2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is ONUBMPTUJUGTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2)12-19-16(18-17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3.
What are the key properties of 2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 257.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 15880000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).