2-(furan-2-yl)-5-methyl-1,3-benzoxazole

C12H9NO2 — CID 659913

IUPAC2-(furan-2-yl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccco3)nc2c1
InChIInChI=1S/C12H9NO2/c1-8-4-5-10-9(7-8)13-12(15-10)11-3-2-6-14-11/h2-7H,1H3
InChIKeyMXIKTLQNGRXWBZ-UHFFFAOYSA-N
MW199.21 g/mol
LogP3.40
Rot. Bonds1

About 2-(furan-2-yl)-5-methyl-1,3-benzoxazole

2-(furan-2-yl)-5-methyl-1,3-benzoxazole (PubChem CID 659913) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-1,3-benzoxazole
PubChem CID659913
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-(furan-2-yl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccco3)nc2c1
InChIInChI=1S/C12H9NO2/c1-8-4-5-10-9(7-8)13-12(15-10)11-3-2-6-14-11/h2-7H,1H3
InChIKeyMXIKTLQNGRXWBZ-UHFFFAOYSA-N
XLogP3.40
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzoxazole, 2-phenyl-
CID 70030
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173
2,5-Dimethylbenzoxazole
CID 21884
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
Benzoxazole, 5-methyl-2-(4-methylphenyl)-
CID 85307
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
2-(3,4-Dimethoxyphenyl)benzoxazole
CID 2848160
2-Phenyl-5-methylbenzoxazole
CID 81919
N-(2-phenyl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 713013
4-(5-Ethyl-benzooxazol-2-yl)-phenylamine
CID 735943
Nocarbenzoxazole F
CID 137133303

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(furan-2-yl)-5-methyl-1,3-benzoxazole (CID 659913) is 2-(furan-2-yl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-1,3-benzoxazole is Cc1ccc2oc(-c3ccco3)nc2c1.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-1,3-benzoxazole?
The InChIKey is MXIKTLQNGRXWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-8-4-5-10-9(7-8)13-12(15-10)11-3-2-6-14-11/h2-7H,1H3.
What are the key properties of 2-(furan-2-yl)-5-methyl-1,3-benzoxazole?
2-(furan-2-yl)-5-methyl-1,3-benzoxazole has a molecular weight of 199.21 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 659913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).