4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine

C12H12N2O2 — CID 117308055

IUPAC4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESCC1Cc2cc(-c3cnoc3N)ccc2O1
InChIInChI=1S/C12H12N2O2/c1-7-4-9-5-8(2-3-11(9)15-7)10-6-14-16-12(10)13/h2-3,5-7H,4,13H2,1H3
InChIKeyCMFBSWXCCSODRT-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.25
Rot. Bonds1

About 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine

4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine (PubChem CID 117308055) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
PubChem CID117308055
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESCC1Cc2cc(-c3cnoc3N)ccc2O1
InChIInChI=1S/C12H12N2O2/c1-7-4-9-5-8(2-3-11(9)15-7)10-6-14-16-12(10)13/h2-3,5-7H,4,13H2,1H3
InChIKeyCMFBSWXCCSODRT-UHFFFAOYSA-N
XLogP2.25
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine
CID 117336621
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 6497060
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine
CID 117314072
4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117472714
4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine
CID 117362249
5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
CID 66155706
4-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 81475809
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787
2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile
CID 51862538

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine (CID 117308055) is 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine is CC1Cc2cc(-c3cnoc3N)ccc2O1.
What is the InChIKey of 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The InChIKey is CMFBSWXCCSODRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-4-9-5-8(2-3-11(9)15-7)10-6-14-16-12(10)13/h2-3,5-7H,4,13H2,1H3.
What are the key properties of 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine has a molecular weight of 216.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117308055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).