3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine

C11H7FN2O2 — CID 117310538

IUPAC3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3ccoc3cc2F)no1
InChIInChI=1S/C11H7FN2O2/c12-8-4-10-6(1-2-15-10)3-7(8)9-5-11(13)16-14-9/h1-5H,13H2
InChIKeyDVCCEWUJYLQYTM-UHFFFAOYSA-N
MW218.19 g/mol
LogP2.81
Rot. Bonds1

About 3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine

3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine (PubChem CID 117310538) has the molecular formula C11H7FN2O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is 3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
PubChem CID117310538
Molecular FormulaC11H7FN2O2
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3ccoc3cc2F)no1
InChIInChI=1S/C11H7FN2O2/c12-8-4-10-6(1-2-15-10)3-7(8)9-5-11(13)16-14-9/h1-5H,13H2
InChIKeyDVCCEWUJYLQYTM-UHFFFAOYSA-N
XLogP2.81
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]methanamine
CID 117806916
4-[2-Ethyl-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3,5-dimethyl-1,2-oxazole
CID 124144319
5-[[5-[2-(1-Benzofuran-3-yl)ethyl]-5-fluorocyclohexa-1,3-dien-1-yl]methyl]-1,2-oxazole-3-carboxamide
CID 142789146
3-[2-(1-Fluoropropyl)-1-benzofuran-5-yl]-1,2-oxazole
CID 174971107
3-(Furan-2-yl)-5-methyl-1,2-benzoxazole
CID 13404229
3-(3-Fluoro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3262136
3-(4-Ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine
CID 3830511
4-(2-Fluorophenyl)-3-(2-furyl)isoxazol-5-amine
CID 33784017
4-(3-Fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
CID 33784019
4-(4-Fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
CID 33784020
4-[4-(Difluoromethoxy)phenyl]-3-(furan-2-yl)-1,2-oxazol-5-amine
CID 43158133
4-(4-Fluorophenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine
CID 43158167

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine (CID 117310538) is 3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine is Nc1cc(-c2cc3ccoc3cc2F)no1.
What is the InChIKey of 3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The InChIKey is DVCCEWUJYLQYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2/c12-8-4-10-6(1-2-15-10)3-7(8)9-5-11(13)16-14-9/h1-5H,13H2.
What are the key properties of 3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine has a molecular weight of 218.19 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117310538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).