methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate

C19H13NO5 — CID 19733610

IUPACmethyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate
SMILESCOC(=O)c1ccc2oc(C3=C(c4ccccc4)COC3=O)nc2c1
InChIInChI=1S/C19H13NO5/c1-23-18(21)12-7-8-15-14(9-12)20-17(25-15)16-13(10-24-19(16)22)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyCJYGGCWHEVDADQ-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.08
Rot. Bonds3

About methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate

methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate (PubChem CID 19733610) has the molecular formula C19H13NO5 and a molecular weight of 335.32 g/mol. Its IUPAC name is methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate
PubChem CID19733610
Molecular FormulaC19H13NO5
Molecular Weight335.32 g/mol
Exact Mass335.08
IUPAC Namemethyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate
SMILESCOC(=O)c1ccc2oc(C3=C(c4ccccc4)COC3=O)nc2c1
InChIInChI=1S/C19H13NO5/c1-23-18(21)12-7-8-15-14(9-12)20-17(25-15)16-13(10-24-19(16)22)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyCJYGGCWHEVDADQ-UHFFFAOYSA-N
XLogP3.08
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-iodophenyl)-1,3-benzoxazole-5-carboxylate
CID 91681322
methyl 2-(3-bromophenyl)-1,3-benzoxazole-5-carboxylate
CID 91682443
methyl 2-(2,6-dimethylphenyl)-1,3-benzoxazole-5-carboxylate
CID 142739912
methyl 2-[4-(bromomethyl)phenyl]-1,3-benzoxazole-5-carboxylate
CID 23459189
methyl 2-(3-methylcyclohexa-1,5-dien-1-yl)-1,3-benzoxazole-5-carboxylate
CID 129309501
methyl 2-methylperoxy-1,3-benzoxazole-5-carboxylate
CID 59027145
methyl 2-(bromomethyl)-1,3-benzoxazole-5-carboxylate
CID 19917455
methyl 2-(tert-butylamino)-1,3-benzoxazole-5-carboxylate
CID 71657876
methyl 2-(1,3,3-trimethyl-2-methylideneindol-5-yl)-1,3-benzoxazole-5-carboxylate
CID 21444082
methyl 2-(ethylaminomethyl)-1,3-benzoxazole-5-carboxylate
CID 83949095
methyl phenazine-2-carboxylate
CID 617185
methyl 2-[2-fluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxylate
CID 163234788

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate?
The IUPAC name of methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate (CID 19733610) is methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate?
The canonical SMILES for methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate is COC(=O)c1ccc2oc(C3=C(c4ccccc4)COC3=O)nc2c1.
What is the InChIKey of methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate?
The InChIKey is CJYGGCWHEVDADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO5/c1-23-18(21)12-7-8-15-14(9-12)20-17(25-15)16-13(10-24-19(16)22)11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate?
methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate has a molecular weight of 335.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-oxo-3-phenyl-2H-furan-4-yl)-1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 19733610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).