5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole

C13H17NO — CID 57079399

IUPAC5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole
SMILESCCCCC1C=C(c2ccccc2)NO1
InChIInChI=1S/C13H17NO/c1-2-3-9-12-10-13(14-15-12)11-7-5-4-6-8-11/h4-8,10,12,14H,2-3,9H2,1H3
InChIKeyRFCKXNOXLTUGGO-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.12
Rot. Bonds4

About 5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole

5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole (PubChem CID 57079399) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole
PubChem CID57079399
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole
SMILESCCCCC1C=C(c2ccccc2)NO1
InChIInChI=1S/C13H17NO/c1-2-3-9-12-10-13(14-15-12)11-7-5-4-6-8-11/h4-8,10,12,14H,2-3,9H2,1H3
InChIKeyRFCKXNOXLTUGGO-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-fluorophenyl)-N-methoxyethenamine
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[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
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5-(Chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
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1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57266923
1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine
CID 57284314
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
1-(4-fluorophenyl)-N-methoxyethenamine
CID 90882872
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
5-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]-3-phenyl-2,5-dihydro-1,2-oxazole
CID 90941741

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole (CID 57079399) is 5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole is CCCCC1C=C(c2ccccc2)NO1.
What is the InChIKey of 5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The InChIKey is RFCKXNOXLTUGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-9-12-10-13(14-15-12)11-7-5-4-6-8-11/h4-8,10,12,14H,2-3,9H2,1H3.
What are the key properties of 5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole?
5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole has a molecular weight of 203.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-phenyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57079399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).