2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole

C14H9NO2 — CID 20610547

IUPAC2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESCc1nc2cc3oc4ccccc4c3cc2o1
InChIInChI=1S/C14H9NO2/c1-8-15-11-7-13-10(6-14(11)16-8)9-4-2-3-5-12(9)17-13/h2-7H,1H3
InChIKeyQWXIDRLTZRLXLR-UHFFFAOYSA-N
MW223.23 g/mol
LogP4.04
Rot. Bonds

About 2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole

2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole (PubChem CID 20610547) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole
PubChem CID20610547
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESCc1nc2cc3oc4ccccc4c3cc2o1
InChIInChI=1S/C14H9NO2/c1-8-15-11-7-13-10(6-14(11)16-8)9-4-2-3-5-12(9)17-13/h2-7H,1H3
InChIKeyQWXIDRLTZRLXLR-UHFFFAOYSA-N
XLogP4.04
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610489
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
2-[4-(10,10-dimethylbenzo[b][1]benzoborinin-5-yl)phenyl]-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 159043877
7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 167289365
9-methyl-27-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.021,26]nonacosa-1(29),2(11),3,5,7,9,12,14,16,18,20(28),21,23,25-tetradecaene
CID 161172312
lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate
CID 159145019
14-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123605957
7-tert-butyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118153211

Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The IUPAC name of 2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole (CID 20610547) is 2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole.
What is the SMILES notation for 2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The canonical SMILES for 2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole is Cc1nc2cc3oc4ccccc4c3cc2o1.
What is the InChIKey of 2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The InChIKey is QWXIDRLTZRLXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c1-8-15-11-7-13-10(6-14(11)16-8)9-4-2-3-5-12(9)17-13/h2-7H,1H3.
What are the key properties of 2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole has a molecular weight of 223.23 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 20610547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).