1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one

C16H13N3O3 — CID 24609407

IUPAC1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2cc(-c3ccco3)on2)c2ccccc21
InChIInChI=1S/C16H13N3O3/c1-18-12-5-2-3-6-13(12)19(16(18)20)10-11-9-15(22-17-11)14-7-4-8-21-14/h2-9H,10H2,1H3
InChIKeyDODZYMPYFQBCAC-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.64
Rot. Bonds3

About 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one (PubChem CID 24609407) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one
PubChem CID24609407
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2cc(-c3ccco3)on2)c2ccccc21
InChIInChI=1S/C16H13N3O3/c1-18-12-5-2-3-6-13(12)19(16(18)20)10-11-9-15(22-17-11)14-7-4-8-21-14/h2-9H,10H2,1H3
InChIKeyDODZYMPYFQBCAC-UHFFFAOYSA-N
XLogP2.64
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one (CID 24609407) is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(Cc2cc(-c3ccco3)on2)c2ccccc21.
What is the InChIKey of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one?
The InChIKey is DODZYMPYFQBCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-18-12-5-2-3-6-13(12)19(16(18)20)10-11-9-15(22-17-11)14-7-4-8-21-14/h2-9H,10H2,1H3.
What are the key properties of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one?
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one has a molecular weight of 295.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 24609407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).