(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate

C15H13NO4 — CID 2815877

IUPAC(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate
SMILESO=C(OCC1CC(c2ccccc2)=NO1)c1ccco1
InChIInChI=1S/C15H13NO4/c17-15(14-7-4-8-18-14)19-10-12-9-13(16-20-12)11-5-2-1-3-6-11/h1-8,12H,9-10H2
InChIKeyCHQQIBRJBWRXOL-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.63
Rot. Bonds4

About (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate

(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate (PubChem CID 2815877) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate.

Molecular Properties

Compound Name(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate
PubChem CID2815877
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate
SMILESO=C(OCC1CC(c2ccccc2)=NO1)c1ccco1
InChIInChI=1S/C15H13NO4/c17-15(14-7-4-8-18-14)19-10-12-9-13(16-20-12)11-5-2-1-3-6-11/h1-8,12H,9-10H2
InChIKeyCHQQIBRJBWRXOL-UHFFFAOYSA-N
XLogP2.63
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate?
The IUPAC name of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate (CID 2815877) is (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate.
What is the SMILES notation for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate?
The canonical SMILES for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate is O=C(OCC1CC(c2ccccc2)=NO1)c1ccco1.
What is the InChIKey of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate?
The InChIKey is CHQQIBRJBWRXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-15(14-7-4-8-18-14)19-10-12-9-13(16-20-12)11-5-2-1-3-6-11/h1-8,12H,9-10H2.
What are the key properties of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate?
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate has a molecular weight of 271.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl furan-2-carboxylate is sourced from PubChem (CID 2815877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).