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

C14H19NO — CID 10727505

IUPAC4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
SMILESCC1(C)COC(CCCc2ccccc2)=N1
InChIInChI=1S/C14H19NO/c1-14(2)11-16-13(15-14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeySVBQBNAJYMDVHL-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.22
Rot. Bonds4

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

4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole (PubChem CID 10727505) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
PubChem CID10727505
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
SMILESCC1(C)COC(CCCc2ccccc2)=N1
InChIInChI=1S/C14H19NO/c1-14(2)11-16-13(15-14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeySVBQBNAJYMDVHL-UHFFFAOYSA-N
XLogP3.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine
CID 102018956
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene
CID 163449515
2-[(2S)-1-benzylaziridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 134858997
4-phenylbutylbenzene
CID 141301927
2-[[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101336400
2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 14973106
2-[(9E,11E)-heptadeca-9,11-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370410
(4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one
CID 131860744
5-methyl-5-(3-phenylpropyl)-1,3-dioxane-4,6-dione
CID 118947181
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole (CID 10727505) is 4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole is CC1(C)COC(CCCc2ccccc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole?
The InChIKey is SVBQBNAJYMDVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2)11-16-13(15-14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole is sourced from PubChem (CID 10727505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).