5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole

C15H25NO — CID 58157912

IUPAC5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1ncoc1CC1CCCCC1
InChIInChI=1S/C15H25NO/c1-15(2,3)10-13-14(17-11-16-13)9-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3
InChIKeyHBHAVCBXOJPTHB-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.39
Rot. Bonds3

About 5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole

5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole (PubChem CID 58157912) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole
PubChem CID58157912
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1ncoc1CC1CCCCC1
InChIInChI=1S/C15H25NO/c1-15(2,3)10-13-14(17-11-16-13)9-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3
InChIKeyHBHAVCBXOJPTHB-UHFFFAOYSA-N
XLogP4.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole?
The IUPAC name of 5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole (CID 58157912) is 5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole.
What is the SMILES notation for 5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole?
The canonical SMILES for 5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole is CC(C)(C)Cc1ncoc1CC1CCCCC1.
What is the InChIKey of 5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole?
The InChIKey is HBHAVCBXOJPTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2,3)10-13-14(17-11-16-13)9-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole?
5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole has a molecular weight of 235.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole is sourced from PubChem (CID 58157912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).