3-(3-fluoropropyl)-1,2-oxazole

C6H8FNO — CID 174850907

IUPAC3-(3-fluoropropyl)-1,2-oxazole
SMILESFCCCc1ccon1
InChIInChI=1S/C6H8FNO/c7-4-1-2-6-3-5-9-8-6/h3,5H,1-2,4H2
InChIKeyYNCIEVSJOIVWCX-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.58
Rot. Bonds3

About 3-(3-fluoropropyl)-1,2-oxazole

3-(3-fluoropropyl)-1,2-oxazole (PubChem CID 174850907) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-fluoropropyl)-1,2-oxazole
PubChem CID174850907
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name3-(3-fluoropropyl)-1,2-oxazole
SMILESFCCCc1ccon1
InChIInChI=1S/C6H8FNO/c7-4-1-2-6-3-5-9-8-6/h3,5H,1-2,4H2
InChIKeyYNCIEVSJOIVWCX-UHFFFAOYSA-N
XLogP1.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,2-oxazol-3-yl)butan-1-amine
CID 22024725
N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine
CID 57052776
5-(1,2-oxazol-3-yl)pentanoic acid
CID 174347954
6-(1,2-oxazol-3-yl)hexanamide
CID 90927084
2-[3-(1,2-oxazol-3-yl)propyl]guanidine
CID 142630694
ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
CID 142597175
ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
CID 142390510
CID 59269538
CID 59269538
1,2-oxazol-3-ylmethanethiol
CID 15646083
3-(3-phenoxypropyl)-1,2-oxazole;propane
CID 142390711
3-(2-ethoxyethyl)-1,2-oxazole
CID 67275455
ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole
CID 142386109

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-1,2-oxazole?
The IUPAC name of 3-(3-fluoropropyl)-1,2-oxazole (CID 174850907) is 3-(3-fluoropropyl)-1,2-oxazole.
What is the SMILES notation for 3-(3-fluoropropyl)-1,2-oxazole?
The canonical SMILES for 3-(3-fluoropropyl)-1,2-oxazole is FCCCc1ccon1.
What is the InChIKey of 3-(3-fluoropropyl)-1,2-oxazole?
The InChIKey is YNCIEVSJOIVWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c7-4-1-2-6-3-5-9-8-6/h3,5H,1-2,4H2.
What are the key properties of 3-(3-fluoropropyl)-1,2-oxazole?
3-(3-fluoropropyl)-1,2-oxazole has a molecular weight of 129.13 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-1,2-oxazole is sourced from PubChem (CID 174850907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).