dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate

C20H16N2O6 — CID 55445915

IUPACdimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)on2)cc(C(=O)OC)c1
InChIInChI=1S/C20H16N2O6/c1-26-19(24)13-8-14(20(25)27-2)10-15(9-13)21-18(23)16-11-17(28-22-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,23)
InChIKeyPUNDVDJVYLBNIE-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.17
Rot. Bonds5

About dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 55445915) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID55445915
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Namedimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)on2)cc(C(=O)OC)c1
InChIInChI=1S/C20H16N2O6/c1-26-19(24)13-8-14(20(25)27-2)10-15(9-13)21-18(23)16-11-17(28-22-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,23)
InChIKeyPUNDVDJVYLBNIE-UHFFFAOYSA-N
XLogP3.17
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951
methyl 4,5-dimethyl-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 43981345
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide
CID 154876265
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-[4-(furan-2-carbonylamino)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51327615
methyl 4-[[5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
CID 121030331
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619649
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 83097894
methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate
CID 3571866
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24532559

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate (CID 55445915) is dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)on2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is PUNDVDJVYLBNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c1-26-19(24)13-8-14(20(25)27-2)10-15(9-13)21-18(23)16-11-17(28-22-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,23).
What are the key properties of dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 380.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 55445915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).