cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone

C19H25NO2 — CID 57178800

IUPACcyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone
SMILESCC(C1=NC(C)(C)CO1)c1ccc(C(=O)C2CCCC2)cc1
InChIInChI=1S/C19H25NO2/c1-13(18-20-19(2,3)12-22-18)14-8-10-16(11-9-14)17(21)15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyJUEKBTWXIJZUIG-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.37
Rot. Bonds4

About cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone

cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone (PubChem CID 57178800) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone
PubChem CID57178800
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Namecyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone
SMILESCC(C1=NC(C)(C)CO1)c1ccc(C(=O)C2CCCC2)cc1
InChIInChI=1S/C19H25NO2/c1-13(18-20-19(2,3)12-22-18)14-8-10-16(11-9-14)17(21)15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyJUEKBTWXIJZUIG-UHFFFAOYSA-N
XLogP4.37
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tgg-II-23A
CID 370786
1-(4,4-Dimethyl-4,5-dihydro-2-oxazolyl)-1-methyl-2-methoxynaphthalen-4(1H)-one
CID 370783
1-(4,4-Dimethyl-4,5-dihydro-2-oxazolyl)-1-methyl-4-isopropylnaphthalen-2(1H)-one
CID 370784
1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-naphthalen-2-one
CID 455270
1-(4-(Tert-butyl)phenyl)-2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)ethanone
CID 7471343
Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl-
CID 12296631
phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone
CID 71354584
4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-isopropyl-3-methoxy-4-methyl-1(4H)-naphthalenone
CID 370785
4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-methoxy-4-(4-methyl-3-pentenyl)-1(4H)-naphthalenone
CID 370788
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethanone
CID 7471340
(4,4-dimethyl-5H-1,3-oxazol-2-yl)-(3-fluorophenyl)methanone
CID 121016013
1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one
CID 134982622

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone?
The IUPAC name of cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone (CID 57178800) is cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone.
What is the SMILES notation for cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone?
The canonical SMILES for cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone is CC(C1=NC(C)(C)CO1)c1ccc(C(=O)C2CCCC2)cc1.
What is the InChIKey of cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone?
The InChIKey is JUEKBTWXIJZUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13(18-20-19(2,3)12-22-18)14-8-10-16(11-9-14)17(21)15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3.
What are the key properties of cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone?
cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone has a molecular weight of 299.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]phenyl]methanone is sourced from PubChem (CID 57178800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).