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

C18H27NO — CID 135073471

IUPAC2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCC(CC)(CCC1=NC(C)(C)CO1)c1ccccc1
InChIInChI=1S/C18H27NO/c1-5-18(6-2,15-10-8-7-9-11-15)13-12-16-19-17(3,4)14-20-16/h7-11H,5-6,12-14H2,1-4H3
InChIKeyDBCXQONARCESCH-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.73
Rot. Bonds6

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

2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135073471) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135073471
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCC(CC)(CCC1=NC(C)(C)CO1)c1ccccc1
InChIInChI=1S/C18H27NO/c1-5-18(6-2,15-10-8-7-9-11-15)13-12-16-19-17(3,4)14-20-16/h7-11H,5-6,12-14H2,1-4H3
InChIKeyDBCXQONARCESCH-UHFFFAOYSA-N
XLogP4.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
2-(2-Phenylethyl)-4,4(5H)-oxazoledimethanol
CID 1511173
2-(2-methoxy-1-methyl-4-methylene-1-naphthyl)-4,4-dimethyl-5H-oxazole
CID 455266
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
(4S)-4-tert-butyl-2-[1-(2-iodophenyl)-1-phenylethyl]-4,5-dihydro-1,3-oxazole
CID 11750846
2,4-dimethyl-4-phenyl-5H-1,3-oxazole
CID 70189853
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
2-[1-(3-fluoro-4-phenylphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
CID 20154043
4-[3-(4-Fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole
CID 91327565
4-[2-[4-[(Z,5Z)-5-ethylidenenon-6-enyl]phenyl]ethyl]-4-(2-fluoroethyl)-2-methyl-5H-1,3-oxazole
CID 143349374
2-[(4,5-ditert-butyl-2-fluorophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 160292016

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole (CID 135073471) is 2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole is CCC(CC)(CCC1=NC(C)(C)CO1)c1ccccc1.
What is the InChIKey of 2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is DBCXQONARCESCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-18(6-2,15-10-8-7-9-11-15)13-12-16-19-17(3,4)14-20-16/h7-11H,5-6,12-14H2,1-4H3.
What are the key properties of 2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 273.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-3-phenylpentyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135073471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).