5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole

C17H17NOS — CID 135031963

IUPAC5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole
SMILESCCCCc1onc(-c2ccccc2)c1-c1cccs1
InChIInChI=1S/C17H17NOS/c1-2-3-10-14-16(15-11-7-12-20-15)17(18-19-14)13-8-5-4-6-9-13/h4-9,11-12H,2-3,10H2,1H3
InChIKeyYJKXYMLAGVLXDJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP5.41
Rot. Bonds5

About 5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole

5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole (PubChem CID 135031963) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole
PubChem CID135031963
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole
SMILESCCCCc1onc(-c2ccccc2)c1-c1cccs1
InChIInChI=1S/C17H17NOS/c1-2-3-10-14-16(15-11-7-12-20-15)17(18-19-14)13-8-5-4-6-9-13/h4-9,11-12H,2-3,10H2,1H3
InChIKeyYJKXYMLAGVLXDJ-UHFFFAOYSA-N
XLogP5.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-4-(4-nitrophenyl)-3-phenyl-1,2-oxazole
CID 135031959
4-thiophen-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 66199989
5-butyl-4-(8-chloro-7,9-dioxa-8-boranuidabicyclo[4.3.0]nona-1,3,5-trien-8-yl)-3-phenyl-1,2-oxazole
CID 140707787
5-butyl-2-methyl-4-phenyl-1,3-oxazole
CID 58626593
5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199378
3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62503085
3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 65428658
CID 174429682
CID 174429682
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500884
2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 67594995
5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200570
2-butylthiophene;methanamine
CID 143080300

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole (CID 135031963) is 5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole is CCCCc1onc(-c2ccccc2)c1-c1cccs1.
What is the InChIKey of 5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole?
The InChIKey is YJKXYMLAGVLXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-3-10-14-16(15-11-7-12-20-15)17(18-19-14)13-8-5-4-6-9-13/h4-9,11-12H,2-3,10H2,1H3.
What are the key properties of 5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole?
5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole has a molecular weight of 283.40 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 135031963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).