5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one

C16H14N2O3 — CID 66365523

IUPAC5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one
SMILESNc1ccc2oc(=O)n(CC3Cc4ccccc4O3)c2c1
InChIInChI=1S/C16H14N2O3/c17-11-5-6-15-13(8-11)18(16(19)21-15)9-12-7-10-3-1-2-4-14(10)20-12/h1-6,8,12H,7,9,17H2
InChIKeyKULOPACVRNSHTE-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.18
Rot. Bonds2

About 5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one

5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one (PubChem CID 66365523) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one
PubChem CID66365523
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one
SMILESNc1ccc2oc(=O)n(CC3Cc4ccccc4O3)c2c1
InChIInChI=1S/C16H14N2O3/c17-11-5-6-15-13(8-11)18(16(19)21-15)9-12-7-10-3-1-2-4-14(10)20-12/h1-6,8,12H,7,9,17H2
InChIKeyKULOPACVRNSHTE-UHFFFAOYSA-N
XLogP2.18
TPSA70.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine
CID 62232831
6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine
CID 65344912
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine
CID 66363208
8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738570
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488264
3-(2,3-dihydro-1-benzofuran-2-ylmethylsulfinyl)aniline
CID 81180890
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 62233193
4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfonyl)-3-fluoroaniline
CID 81184831
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
3-bromo-4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)aniline
CID 82841024

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one (CID 66365523) is 5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one is Nc1ccc2oc(=O)n(CC3Cc4ccccc4O3)c2c1.
What is the InChIKey of 5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one?
The InChIKey is KULOPACVRNSHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-11-5-6-15-13(8-11)18(16(19)21-15)9-12-7-10-3-1-2-4-14(10)20-12/h1-6,8,12H,7,9,17H2.
What are the key properties of 5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one?
5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 66365523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).