6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one

C13H12N2O3 — CID 43486043

IUPAC6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)oc2c1)c1ccco1
InChIInChI=1S/C13H12N2O3/c1-14-12(10-3-2-6-17-10)8-4-5-9-11(7-8)18-13(16)15-9/h2-7,12,14H,1H3,(H,15,16)
InChIKeyATHJLKFCQZTLDS-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.02
Rot. Bonds3

About 6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one

6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 43486043) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID43486043
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)oc2c1)c1ccco1
InChIInChI=1S/C13H12N2O3/c1-14-12(10-3-2-6-17-10)8-4-5-9-11(7-8)18-13(16)15-9/h2-7,12,14H,1H3,(H,15,16)
InChIKeyATHJLKFCQZTLDS-UHFFFAOYSA-N
XLogP2.02
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[bromo(furan-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61098364
6-[(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486093
6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486103
6-[(3-chloro-2-methylphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107096405
6-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486083
6-[2-chloro-1-(methylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 116952665
3-(methylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanenitrile
CID 116955187
6-[1-(methylamino)-2-methylsulfanylethyl]-3H-1,3-benzoxazol-2-one
CID 116830424
6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492554
7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43483117
3-methyl-2-[methylamino-(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanenitrile
CID 116960715
1-dibenzofuran-2-yl-1-(furan-2-yl)-N-methylmethanamine
CID 43482139

Frequently Asked Questions

What is the IUPAC name of 6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one (CID 43486043) is 6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one is CNC(c1ccc2[nH]c(=O)oc2c1)c1ccco1.
What is the InChIKey of 6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is ATHJLKFCQZTLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-14-12(10-3-2-6-17-10)8-4-5-9-11(7-8)18-13(16)15-9/h2-7,12,14H,1H3,(H,15,16).
What are the key properties of 6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 244.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43486043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).