4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole

C9H10FNO — CID 171807382

IUPAC4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole
SMILESC=C(CC)c1ncoc1C(=C)F
InChIInChI=1S/C9H10FNO/c1-4-6(2)8-9(7(3)10)12-5-11-8/h5H,2-4H2,1H3
InChIKeyWSBCVIZANLRNIF-UHFFFAOYSA-N
MW167.18 g/mol
LogP3.04
Rot. Bonds3

About 4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole

4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole (PubChem CID 171807382) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole
PubChem CID171807382
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole
SMILESC=C(CC)c1ncoc1C(=C)F
InChIInChI=1S/C9H10FNO/c1-4-6(2)8-9(7(3)10)12-5-11-8/h5H,2-4H2,1H3
InChIKeyWSBCVIZANLRNIF-UHFFFAOYSA-N
XLogP3.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dihydro-1,3-benzoxazole
CID 17861785
4-methylidene-6,7-dihydro-5H-1,3-benzoxazole
CID 68061433
5-Cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole
CID 90243606
6-Methyl-4,5-dihydro-1,3-benzoxazole
CID 90278042
5-Oxa-3,11,12-triazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(15),2(6),3,7,9,11,13-heptaene
CID 91079448
4-(6-Methylhept-2-en-3-yl)-5-prop-1-en-2-yl-1,3-oxazole
CID 91153724
5-Propan-2-yl-4-prop-1-en-2-yl-1,3-oxazole
CID 126487604
5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole
CID 129019122
5-Methyl-6,7-dihydro-1,3-benzoxazole
CID 130369919
7-Methyl-4,5-dihydro-1,3-benzoxazole
CID 134316240
4,5-Dimethyl-4,5-dihydro-1,3-benzoxazole
CID 137536759
Pyrrolo[3,2-e][1,3]benzoxazol-7-one
CID 142649024

Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole?
The IUPAC name of 4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole (CID 171807382) is 4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole.
What is the SMILES notation for 4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole?
The canonical SMILES for 4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole is C=C(CC)c1ncoc1C(=C)F.
What is the InChIKey of 4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole?
The InChIKey is WSBCVIZANLRNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-4-6(2)8-9(7(3)10)12-5-11-8/h5H,2-4H2,1H3.
What are the key properties of 4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole?
4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole has a molecular weight of 167.18 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-5-(1-fluoroethenyl)-1,3-oxazole is sourced from PubChem (CID 171807382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).