5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one

C16H14N2O3 — CID 43804424

IUPAC5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3ccc4c(c3)CCO4)ccc2o1
InChIInChI=1S/C16H14N2O3/c19-16-18-13-8-12(2-4-15(13)21-16)17-9-10-1-3-14-11(7-10)5-6-20-14/h1-4,7-8,17H,5-6,9H2,(H,18,19)
InChIKeyNYPBFAXVRRYZDX-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.67
Rot. Bonds3

About 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one

5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one (PubChem CID 43804424) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one
PubChem CID43804424
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3ccc4c(c3)CCO4)ccc2o1
InChIInChI=1S/C16H14N2O3/c19-16-18-13-8-12(2-4-15(13)21-16)17-9-10-1-3-14-11(7-10)5-6-20-14/h1-4,7-8,17H,5-6,9H2,(H,18,19)
InChIKeyNYPBFAXVRRYZDX-UHFFFAOYSA-N
XLogP2.67
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452
5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793337
5-[(3-bromophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741453
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
3-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylaniline
CID 63333075
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
CID 43804100
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)benzonitrile
CID 43804098
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 66408734
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one (CID 43804424) is 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(NCc3ccc4c(c3)CCO4)ccc2o1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The InChIKey is NYPBFAXVRRYZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16-18-13-8-12(2-4-15(13)21-16)17-9-10-1-3-14-11(7-10)5-6-20-14/h1-4,7-8,17H,5-6,9H2,(H,18,19).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one?
5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43804424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).