3-(furan-2-yl)-5-methyl-1,2-benzoxazole

C12H9NO2 — CID 13404229

IUPAC3-(furan-2-yl)-5-methyl-1,2-benzoxazole
SMILESCc1ccc2onc(-c3ccco3)c2c1
InChIInChI=1S/C12H9NO2/c1-8-4-5-10-9(7-8)12(13-15-10)11-3-2-6-14-11/h2-7H,1H3
InChIKeyUMTFKNFVVPOAGH-UHFFFAOYSA-N
MW199.21 g/mol
LogP3.40
Rot. Bonds1

About 3-(furan-2-yl)-5-methyl-1,2-benzoxazole

3-(furan-2-yl)-5-methyl-1,2-benzoxazole (PubChem CID 13404229) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-methyl-1,2-benzoxazole
PubChem CID13404229
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name3-(furan-2-yl)-5-methyl-1,2-benzoxazole
SMILESCc1ccc2onc(-c3ccco3)c2c1
InChIInChI=1S/C12H9NO2/c1-8-4-5-10-9(7-8)12(13-15-10)11-3-2-6-14-11/h2-7H,1H3
InChIKeyUMTFKNFVVPOAGH-UHFFFAOYSA-N
XLogP3.40
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-Bromofuran-2-yl)-4-phenyl-5-methylisoxazole
CID 44194810
4-Phenyl-5-methyl-3-(5-methylfuran-2-yl)isoxazole
CID 44194811
3-(Furan-2-yl)-4-phenyl-5-methylisoxazole
CID 57780771
4-(4-Fluoro-3-methoxyphenyl)-3-(furan-2-yl)-5-phenyl-1,2-oxazole
CID 24761329
5-[5-[4-(3-Furyl)-2,6-dimethyl-phenoxy]pentyl]-3-methyl-isoxazole
CID 5273098
Ethyl 2-fluoro-4-[3-(furan-2-yl)-5-phenyl-1,2-oxazol-4-yl]benzoate
CID 24761327
3-(4-Methoxyphenyl)benzo[d]isoxazole
CID 57382590
4-[3-(Furan-2-yl)-1,2-oxazol-5-yl]phenol
CID 136498884
5-[5-[2-Ethyl-4-(3-furyl)-6-methyl-phenoxy]pentyl]-3-methyl-isoxazole
CID 5273097
3-(2-Furyl)-5-phenylisoxazole
CID 725509
3-(4-Methoxy-1-benzofuran-5-yl)-5-phenyl-1,2-oxazole
CID 11358270
Ethyl 1,2-benzoxazole-3-carboxylate
CID 14177940

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-methyl-1,2-benzoxazole?
The IUPAC name of 3-(furan-2-yl)-5-methyl-1,2-benzoxazole (CID 13404229) is 3-(furan-2-yl)-5-methyl-1,2-benzoxazole.
What is the SMILES notation for 3-(furan-2-yl)-5-methyl-1,2-benzoxazole?
The canonical SMILES for 3-(furan-2-yl)-5-methyl-1,2-benzoxazole is Cc1ccc2onc(-c3ccco3)c2c1.
What is the InChIKey of 3-(furan-2-yl)-5-methyl-1,2-benzoxazole?
The InChIKey is UMTFKNFVVPOAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-8-4-5-10-9(7-8)12(13-15-10)11-3-2-6-14-11/h2-7H,1H3.
What are the key properties of 3-(furan-2-yl)-5-methyl-1,2-benzoxazole?
3-(furan-2-yl)-5-methyl-1,2-benzoxazole has a molecular weight of 199.21 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-methyl-1,2-benzoxazole is sourced from PubChem (CID 13404229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).