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

C14H10N2O4 — CID 2081182

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccco1
InChIInChI=1S/C14H10N2O4/c17-14(11-7-4-8-18-11)19-9-12-15-16-13(20-12)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyLCQQSODPHSCWCJ-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.69
Rot. Bonds4

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate (PubChem CID 2081182) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate
PubChem CID2081182
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccco1
InChIInChI=1S/C14H10N2O4/c17-14(11-7-4-8-18-11)19-9-12-15-16-13(20-12)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyLCQQSODPHSCWCJ-UHFFFAOYSA-N
XLogP2.69
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
CID 7472802
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromobenzoate
CID 2642860
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(propan-2-yloxymethyl)benzoate
CID 8985549
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014045
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoxaline-2-carboxylate
CID 8610510
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 6-methyl-4-oxochromene-2-carboxylate
CID 8729661
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-nitrofuran-2-carboxylate
CID 9454803
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate
CID 27926807
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate
CID 26178971

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate (CID 2081182) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)c1ccco1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate?
The InChIKey is LCQQSODPHSCWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-14(11-7-4-8-18-11)19-9-12-15-16-13(20-12)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate has a molecular weight of 270.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate is sourced from PubChem (CID 2081182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).