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

C13H17NO — CID 132519396

IUPAC2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C13H17NO/c1-2-3-4-11-5-7-12(8-6-11)13-14-9-10-15-13/h5-8H,2-4,9-10H2,1H3
InChIKeyLSVJXMSAHGXFOC-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.81
Rot. Bonds4

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

2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 132519396) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID132519396
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C13H17NO/c1-2-3-4-11-5-7-12(8-6-11)13-14-9-10-15-13/h5-8H,2-4,9-10H2,1H3
InChIKeyLSVJXMSAHGXFOC-UHFFFAOYSA-N
XLogP2.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 213029
2-Phenyl-2-oxazoline
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Oxazole, 2,2'-(1,3-phenylene)bis[4,5-dihydro-
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4,4-Dimethyl-2-phenyl-2-oxazoline
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2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
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
1,3-Bis((r)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene
CID 24761720
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole (CID 132519396) is 2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole is CCCCc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is LSVJXMSAHGXFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-4-11-5-7-12(8-6-11)13-14-9-10-15-13/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole?
2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 203.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132519396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).