3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine

C12H10N2O2 — CID 117305291

IUPAC3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine
SMILESCc1cc2cccc(-c3cc(N)on3)c2o1
InChIInChI=1S/C12H10N2O2/c1-7-5-8-3-2-4-9(12(8)15-7)10-6-11(13)16-14-10/h2-6H,13H2,1H3
InChIKeyWBQRTPSERDICSX-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.98
Rot. Bonds1

About 3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine

3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine (PubChem CID 117305291) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine
PubChem CID117305291
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine
SMILESCc1cc2cccc(-c3cc(N)on3)c2o1
InChIInChI=1S/C12H10N2O2/c1-7-5-8-3-2-4-9(12(8)15-7)10-6-11(13)16-14-10/h2-6H,13H2,1H3
InChIKeyWBQRTPSERDICSX-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

2-(2-methyl-1-benzofuran-7-yl)benzene-1,3-diol
CID 143318496
3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117305294
2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol
CID 136998676
3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine
CID 28780619
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
3-(5-amino-1,2-oxazol-3-yl)-1H-indol-4-ol
CID 136986010
3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117314022
3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336512
3-(3-chloro-1H-indol-4-yl)-1,2-oxazol-5-amine
CID 117339578
4-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015302
3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
CID 82474477
3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117299819

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine (CID 117305291) is 3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine is Cc1cc2cccc(-c3cc(N)on3)c2o1.
What is the InChIKey of 3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine?
The InChIKey is WBQRTPSERDICSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-7-5-8-3-2-4-9(12(8)15-7)10-6-11(13)16-14-10/h2-6H,13H2,1H3.
What are the key properties of 3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine?
3-(2-methyl-1-benzofuran-7-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-7-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117305291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).