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

C12H10N2O2 — CID 117305294

IUPAC3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESCc1cc2cc(-c3cc(N)on3)ccc2o1
InChIInChI=1S/C12H10N2O2/c1-7-4-9-5-8(2-3-11(9)15-7)10-6-12(13)16-14-10/h2-6H,13H2,1H3
InChIKeyOSBZKSXFRGFUJI-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.98
Rot. Bonds1

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

3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine (PubChem CID 117305294) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine
PubChem CID117305294
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESCc1cc2cc(-c3cc(N)on3)ccc2o1
InChIInChI=1S/C12H10N2O2/c1-7-4-9-5-8(2-3-11(9)15-7)10-6-12(13)16-14-10/h2-6H,13H2,1H3
InChIKeyOSBZKSXFRGFUJI-UHFFFAOYSA-N
XLogP2.98
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methoxyphenyl)-1,2-oxazol-5-amine
CID 4361134
N-[4-(1-benzofuran-2-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 8852706
[5-[5-(4-Fluorophenyl)-3-methyl-1,2-oxazol-4-yl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methanamine
CID 117806676
[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
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-(4-Ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine
CID 3830511
3-(3-Fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82476360
3-(6-Fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine
CID 117310537
3-(6-Fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117310538
3-(4-Fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117310539

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine (CID 117305294) is 3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine is Cc1cc2cc(-c3cc(N)on3)ccc2o1.
What is the InChIKey of 3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The InChIKey is OSBZKSXFRGFUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-7-4-9-5-8(2-3-11(9)15-7)10-6-12(13)16-14-10/h2-6H,13H2,1H3.
What are the key properties of 3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine has a molecular weight of 214.22 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117305294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).