(2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate

C13H9NO4 — CID 110494861

IUPAC(2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate
SMILESCc1nc2cc(OC(=O)c3ccco3)ccc2o1
InChIInChI=1S/C13H9NO4/c1-8-14-10-7-9(4-5-11(10)17-8)18-13(15)12-3-2-6-16-12/h2-7H,1H3
InChIKeySRBAACJEKWAQEV-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.95
Rot. Bonds2

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

(2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate (PubChem CID 110494861) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is (2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate
PubChem CID110494861
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name(2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate
SMILESCc1nc2cc(OC(=O)c3ccco3)ccc2o1
InChIInChI=1S/C13H9NO4/c1-8-14-10-7-9(4-5-11(10)17-8)18-13(15)12-3-2-6-16-12/h2-7H,1H3
InChIKeySRBAACJEKWAQEV-UHFFFAOYSA-N
XLogP2.95
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-1,3-benzoxazol-5-yl) 3,3-diphenylpropanoate
CID 110494883
(2-oxo-1,3-benzoxathiol-5-yl) furan-2-carboxylate
CID 707385
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 145041643
(2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate
CID 110494897
[4-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenyl] furan-2-carboxylate
CID 1079566
[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate
CID 1234570
(2-methyl-1,3-benzoxazol-6-yl) 3,5-dimethoxybenzoate
CID 110494414
1H-indazol-6-yl furan-2-carboxylate
CID 71857506
[3-bromo-4-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
CID 1097530
(2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate
CID 110494411
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate?
The IUPAC name of (2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate (CID 110494861) is (2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate.
What is the SMILES notation for (2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate?
The canonical SMILES for (2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate is Cc1nc2cc(OC(=O)c3ccco3)ccc2o1.
What is the InChIKey of (2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate?
The InChIKey is SRBAACJEKWAQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c1-8-14-10-7-9(4-5-11(10)17-8)18-13(15)12-3-2-6-16-12/h2-7H,1H3.
What are the key properties of (2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate?
(2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate has a molecular weight of 243.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate is sourced from PubChem (CID 110494861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).