6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one

C16H14N2O3 — CID 43322336

IUPAC6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESNC(c1ccc2[nH]c(=O)oc2c1)C1Cc2ccccc2O1
InChIInChI=1S/C16H14N2O3/c17-15(14-7-9-3-1-2-4-12(9)20-14)10-5-6-11-13(8-10)21-16(19)18-11/h1-6,8,14-15H,7,17H2,(H,18,19)
InChIKeyKIPHWOQXLJVFDI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.12
Rot. Bonds2

About 6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one

6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 43322336) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID43322336
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESNC(c1ccc2[nH]c(=O)oc2c1)C1Cc2ccccc2O1
InChIInChI=1S/C16H14N2O3/c17-15(14-7-9-3-1-2-4-12(9)20-14)10-5-6-11-13(8-10)21-16(19)18-11/h1-6,8,14-15H,7,17H2,(H,18,19)
InChIKeyKIPHWOQXLJVFDI-UHFFFAOYSA-N
XLogP2.12
TPSA81.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[amino-(4-oxocyclohexyl)methyl]-3H-1,3-benzoxazol-2-one
CID 116941983
6-[amino(oxolan-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61270850
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514
6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43322363
6-[amino-(4-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140010
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 54592974
6-[amino-(3-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140007
5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 116941050
6-(1-bromo-2,2-dicyclopropylethyl)-3H-1,3-benzoxazol-2-one
CID 112745106
6-[bromo-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61098959
6-(1-bromo-2-oxopropyl)-3H-1,3-benzoxazol-2-one
CID 116859829

Frequently Asked Questions

What is the IUPAC name of 6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one (CID 43322336) is 6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one is NC(c1ccc2[nH]c(=O)oc2c1)C1Cc2ccccc2O1.
What is the InChIKey of 6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is KIPHWOQXLJVFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-15(14-7-9-3-1-2-4-12(9)20-14)10-5-6-11-13(8-10)21-16(19)18-11/h1-6,8,14-15H,7,17H2,(H,18,19).
What are the key properties of 6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43322336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).