[3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid

C19H13N3O4 — CID 118954163

IUPAC[3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid
SMILESO=C(O)N(c1ccccc1)c1cc(-c2cnco2)cc(-c2cnco2)c1
InChIInChI=1S/C19H13N3O4/c23-19(24)22(15-4-2-1-3-5-15)16-7-13(17-9-20-11-25-17)6-14(8-16)18-10-21-12-26-18/h1-12H,(H,23,24)
InChIKeyKIGRCFIEYRMZCF-UHFFFAOYSA-N
MW347.33 g/mol
LogP4.81
Rot. Bonds4

About [3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid

[3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid (PubChem CID 118954163) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is [3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid.

Molecular Properties

Compound Name[3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid
PubChem CID118954163
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name[3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid
SMILESO=C(O)N(c1ccccc1)c1cc(-c2cnco2)cc(-c2cnco2)c1
InChIInChI=1S/C19H13N3O4/c23-19(24)22(15-4-2-1-3-5-15)16-7-13(17-9-20-11-25-17)6-14(8-16)18-10-21-12-26-18/h1-12H,(H,23,24)
InChIKeyKIGRCFIEYRMZCF-UHFFFAOYSA-N
XLogP4.81
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid?
The IUPAC name of [3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid (CID 118954163) is [3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid.
What is the SMILES notation for [3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid?
The canonical SMILES for [3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid is O=C(O)N(c1ccccc1)c1cc(-c2cnco2)cc(-c2cnco2)c1.
What is the InChIKey of [3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid?
The InChIKey is KIGRCFIEYRMZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c23-19(24)22(15-4-2-1-3-5-15)16-7-13(17-9-20-11-25-17)6-14(8-16)18-10-21-12-26-18/h1-12H,(H,23,24).
What are the key properties of [3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid?
[3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid has a molecular weight of 347.33 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid is sourced from PubChem (CID 118954163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).