2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole

C13H17NO — CID 13484533

IUPAC2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCCCC1=NCC(c2ccccc2)O1
InChIInChI=1S/C13H17NO/c1-2-3-9-13-14-10-12(15-13)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3
InChIKeyXJCSCSZKSWTOGS-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.35
Rot. Bonds4

About 2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole

2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 13484533) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID13484533
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCCCC1=NCC(c2ccccc2)O1
InChIInChI=1S/C13H17NO/c1-2-3-9-13-14-10-12(15-13)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3
InChIKeyXJCSCSZKSWTOGS-UHFFFAOYSA-N
XLogP3.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole (CID 13484533) is 2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole is CCCCC1=NCC(c2ccccc2)O1.
What is the InChIKey of 2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is XJCSCSZKSWTOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-9-13-14-10-12(15-13)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3.
What are the key properties of 2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole?
2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 203.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 13484533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).