3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine

C7H9FN2O — CID 170138401

IUPAC3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine
SMILESC=C(F)CCc1cc(N)on1
InChIInChI=1S/C7H9FN2O/c1-5(8)2-3-6-4-7(9)11-10-6/h4H,1-3,9H2
InChIKeyMSKGWCXJPVLEAK-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.67
Rot. Bonds3

About 3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine

3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine (PubChem CID 170138401) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine
PubChem CID170138401
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine
SMILESC=C(F)CCc1cc(N)on1
InChIInChI=1S/C7H9FN2O/c1-5(8)2-3-6-4-7(9)11-10-6/h4H,1-3,9H2
InChIKeyMSKGWCXJPVLEAK-UHFFFAOYSA-N
XLogP1.67
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-1,2-oxazol-5-amine
CID 2104061
3-(3-aminopropyl)-1,2-oxazol-5-amine
CID 83845440
3-ethyl-1,2-oxazol-5-amine
CID 10866295
3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine
CID 82075946
3-octyl-1,2-oxazol-5-amine
CID 65427877
3-[2-(2-fluorophenoxy)ethyl]-1,2-oxazol-5-amine
CID 82080194
3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine
CID 82080374
3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine
CID 82078778
3-(cyclopropylmethyl)-1,2-oxazol-5-amine
CID 54776320
3-(2-piperidin-4-ylethyl)-1,2-oxazol-5-amine
CID 83847589
3-(cyclobutylmethyl)-1,2-oxazol-5-amine
CID 103164216
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine
CID 75357494

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine (CID 170138401) is 3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine is C=C(F)CCc1cc(N)on1.
What is the InChIKey of 3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine?
The InChIKey is MSKGWCXJPVLEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-5(8)2-3-6-4-7(9)11-10-6/h4H,1-3,9H2.
What are the key properties of 3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine?
3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine has a molecular weight of 156.16 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 170138401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).