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

C12H10N2O3 — CID 63204507

IUPAC5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3ccoc3)ccc2o1
InChIInChI=1S/C12H10N2O3/c15-12-14-10-5-9(1-2-11(10)17-12)13-6-8-3-4-16-7-8/h1-5,7,13H,6H2,(H,14,15)
InChIKeyIDYHASNAENTPLL-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.33
Rot. Bonds3

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

5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one (PubChem CID 63204507) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one
PubChem CID63204507
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3ccoc3)ccc2o1
InChIInChI=1S/C12H10N2O3/c15-12-14-10-5-9(1-2-11(10)17-12)13-6-8-3-4-16-7-8/h1-5,7,13H,6H2,(H,14,15)
InChIKeyIDYHASNAENTPLL-UHFFFAOYSA-N
XLogP2.33
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.33
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
5-[(5-iodofuran-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43790112
5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741465
5-[(1-methylpyrrol-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 62133508
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793336
5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 43804424
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741423
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one (CID 63204507) is 5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(NCc3ccoc3)ccc2o1.
What is the InChIKey of 5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The InChIKey is IDYHASNAENTPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12-14-10-5-9(1-2-11(10)17-12)13-6-8-3-4-16-7-8/h1-5,7,13H,6H2,(H,14,15).
What are the key properties of 5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one?
5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one has a molecular weight of 230.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 63204507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).