N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C18H16N2O4 — CID 3240952

IUPACN-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)NCc3ccco3)noc1-2
InChIInChI=1S/C18H16N2O4/c1-22-12-5-7-14-11(9-12)4-6-15-16(20-24-17(14)15)18(21)19-10-13-3-2-8-23-13/h2-3,5,7-9H,4,6,10H2,1H3,(H,19,21)
InChIKeyGRMKQVYZGOURPI-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.97
Rot. Bonds4

About N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 3240952) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID3240952
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)NCc3ccco3)noc1-2
InChIInChI=1S/C18H16N2O4/c1-22-12-5-7-14-11(9-12)4-6-15-16(20-24-17(14)15)18(21)19-10-13-3-2-8-23-13/h2-3,5,7-9H,4,6,10H2,1H3,(H,19,21)
InChIKeyGRMKQVYZGOURPI-UHFFFAOYSA-N
XLogP2.97
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 3240952) is N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COc1ccc2c(c1)CCc1c(C(=O)NCc3ccco3)noc1-2.
What is the InChIKey of N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is GRMKQVYZGOURPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-12-5-7-14-11(9-12)4-6-15-16(20-24-17(14)15)18(21)19-10-13-3-2-8-23-13/h2-3,5,7-9H,4,6,10H2,1H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 3240952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).