2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole

C12H15NO — CID 12793312

IUPAC2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C12H15NO/c1-2-3-10-4-6-11(7-5-10)12-13-8-9-14-12/h4-7H,2-3,8-9H2,1H3
InChIKeyIJXFZPYQUWPASF-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.42
Rot. Bonds3

About 2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole

2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 12793312) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID12793312
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C12H15NO/c1-2-3-10-4-6-11(7-5-10)12-13-8-9-14-12/h4-7H,2-3,8-9H2,1H3
InChIKeyIJXFZPYQUWPASF-UHFFFAOYSA-N
XLogP2.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-2-oxazoline
CID 244030
Oxazole, 2,2'-(1,3-phenylene)bis[4,5-dihydro-
CID 604269
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
Ethyl benzimidate
CID 79250
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole (CID 12793312) is 2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole is CCCc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is IJXFZPYQUWPASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-3-10-4-6-11(7-5-10)12-13-8-9-14-12/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole?
2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12793312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).