(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate

C23H18N2O5 — CID 16588954

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C23H18N2O5/c1-15-19(25-22(30-15)16-8-3-2-4-9-16)14-29-23(27)17-10-5-6-11-18(17)24-21(26)20-12-7-13-28-20/h2-13H,14H2,1H3,(H,24,26)
InChIKeyWQAGIJIRJGHXGB-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.85
Rot. Bonds6

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate (PubChem CID 16588954) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
PubChem CID16588954
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C23H18N2O5/c1-15-19(25-22(30-15)16-8-3-2-4-9-16)14-29-23(27)17-10-5-6-11-18(17)24-21(26)20-12-7-13-28-20/h2-13H,14H2,1H3,(H,24,26)
InChIKeyWQAGIJIRJGHXGB-UHFFFAOYSA-N
XLogP4.85
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-fluorobenzoate
CID 16588712
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
CID 16588864
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-hydroxy-3-methylbenzoate
CID 16588903
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16617005
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-2-nitrobenzoate
CID 16797367
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55644091
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate
CID 24651519
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-methylbenzoyl)amino]acetate
CID 16589199
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-(methoxymethyl)benzoate
CID 18145195

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate (CID 16588954) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate is Cc1oc(-c2ccccc2)nc1COC(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The InChIKey is WQAGIJIRJGHXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-15-19(25-22(30-15)16-8-3-2-4-9-16)14-29-23(27)17-10-5-6-11-18(17)24-21(26)20-12-7-13-28-20/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate has a molecular weight of 402.41 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 16588954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).