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

C14H17NO — CID 58626593

IUPAC5-butyl-2-methyl-4-phenyl-1,3-oxazole
SMILESCCCCc1oc(C)nc1-c1ccccc1
InChIInChI=1S/C14H17NO/c1-3-4-10-13-14(15-11(2)16-13)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKeyUOWIEANDWWGDQT-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.99
Rot. Bonds4

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

5-butyl-2-methyl-4-phenyl-1,3-oxazole (PubChem CID 58626593) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-butyl-2-methyl-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-butyl-2-methyl-4-phenyl-1,3-oxazole
PubChem CID58626593
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5-butyl-2-methyl-4-phenyl-1,3-oxazole
SMILESCCCCc1oc(C)nc1-c1ccccc1
InChIInChI=1S/C14H17NO/c1-3-4-10-13-14(15-11(2)16-13)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKeyUOWIEANDWWGDQT-UHFFFAOYSA-N
XLogP3.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-4-phenyl-1,3-oxazole?
The IUPAC name of 5-butyl-2-methyl-4-phenyl-1,3-oxazole (CID 58626593) is 5-butyl-2-methyl-4-phenyl-1,3-oxazole.
What is the SMILES notation for 5-butyl-2-methyl-4-phenyl-1,3-oxazole?
The canonical SMILES for 5-butyl-2-methyl-4-phenyl-1,3-oxazole is CCCCc1oc(C)nc1-c1ccccc1.
What is the InChIKey of 5-butyl-2-methyl-4-phenyl-1,3-oxazole?
The InChIKey is UOWIEANDWWGDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-4-10-13-14(15-11(2)16-13)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 5-butyl-2-methyl-4-phenyl-1,3-oxazole?
5-butyl-2-methyl-4-phenyl-1,3-oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-4-phenyl-1,3-oxazole is sourced from PubChem (CID 58626593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).