2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole

C13H16FNO — CID 153378982

IUPAC2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCC1=NC(c2ccc(F)cc2)CO1
InChIInChI=1S/C13H16FNO/c1-2-3-4-13-15-12(9-16-13)10-5-7-11(14)8-6-10/h5-8,12H,2-4,9H2,1H3
InChIKeyKCBBJULXOVUNHV-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.49
Rot. Bonds4

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

2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 153378982) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID153378982
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCC1=NC(c2ccc(F)cc2)CO1
InChIInChI=1S/C13H16FNO/c1-2-3-4-13-15-12(9-16-13)10-5-7-11(14)8-6-10/h5-8,12H,2-4,9H2,1H3
InChIKeyKCBBJULXOVUNHV-UHFFFAOYSA-N
XLogP3.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
AG-H-02521
CID 5325154
(4R)-4-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966110
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966111
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966114
(4S)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966462
4-(2,5-Difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323655
4-(3-Fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323744
(RS)-4-(2,4-Difluoro-phenyl)-4,5-dihydro-oxazol-2-ylamine
CID 59323878

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole (CID 153378982) is 2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole is CCCCC1=NC(c2ccc(F)cc2)CO1.
What is the InChIKey of 2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is KCBBJULXOVUNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-2-3-4-13-15-12(9-16-13)10-5-7-11(14)8-6-10/h5-8,12H,2-4,9H2,1H3.
What are the key properties of 2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 221.28 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 153378982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).