ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate

C19H16N2O5 — CID 164735405

IUPACethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(NC(=O)Oc3ccccc3)cc2)n1
InChIInChI=1S/C19H16N2O5/c1-2-24-18(22)16-12-25-17(21-16)13-8-10-14(11-9-13)20-19(23)26-15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,20,23)
InChIKeySMUXGDPTUSXRJJ-UHFFFAOYSA-N
MW352.35 g/mol
LogP4.13
Rot. Bonds5

About ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate

ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 164735405) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate
PubChem CID164735405
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Nameethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(NC(=O)Oc3ccccc3)cc2)n1
InChIInChI=1S/C19H16N2O5/c1-2-24-18(22)16-12-25-17(21-16)13-8-10-14(11-9-13)20-19(23)26-15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,20,23)
InChIKeySMUXGDPTUSXRJJ-UHFFFAOYSA-N
XLogP4.13
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

octyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71458299
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303
ethyl 2-[4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]-1,3-oxazole-4-carboxylate
CID 169343309
ethyl 2-[2-(carbamothioylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 169358237
ethyl 2-[4-(phenylcarbamoyloxy)phenyl]-1H-pyrrole-3-carboxylate
CID 57261964
cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71452942
ethyl 2-[3-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]phenyl]-1,3-oxazole-4-carboxylate
CID 118073326
ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate
CID 159374532
ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 171366901
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218
ethyl 3-(4-chlorophenyl)-5-(phenoxycarbonylamino)-1,2-oxazole-4-carboxylate
CID 108742877
benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46201740

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate (CID 164735405) is ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2ccc(NC(=O)Oc3ccccc3)cc2)n1.
What is the InChIKey of ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is SMUXGDPTUSXRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-2-24-18(22)16-12-25-17(21-16)13-8-10-14(11-9-13)20-19(23)26-15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,20,23).
What are the key properties of ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate?
ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 352.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 164735405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).