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

C14H10N2O4 — CID 26985153

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate
SMILESO=C(OCc1nc(-c2ccccc2)no1)c1ccoc1
InChIInChI=1S/C14H10N2O4/c17-14(11-6-7-18-8-11)19-9-12-15-13(16-20-12)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyWGMIQISDQNNMBT-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.69
Rot. Bonds4

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

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate (PubChem CID 26985153) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate
PubChem CID26985153
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate
SMILESO=C(OCc1nc(-c2ccccc2)no1)c1ccoc1
InChIInChI=1S/C14H10N2O4/c17-14(11-6-7-18-8-11)19-9-12-15-13(16-20-12)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyWGMIQISDQNNMBT-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

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3,4-dichlorobenzoate
CID 7864870
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate
CID 7803294
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3,4,5-trichloropyridine-2-carboxylate
CID 7649299
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-acetylthiophene-2-carboxylate
CID 18100127
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 9478384
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate
CID 8607847
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylsulfonylbenzoate
CID 8857809
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-chloroquinoline-4-carboxylate
CID 9009995
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-chloro-1H-pyrrole-2-carboxylate
CID 18100157
N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
CID 46392010
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-chloro-4-fluorobenzoate
CID 8764401
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate (CID 26985153) is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate is O=C(OCc1nc(-c2ccccc2)no1)c1ccoc1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate?
The InChIKey is WGMIQISDQNNMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-14(11-6-7-18-8-11)19-9-12-15-13(16-20-12)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate?
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-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 (3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate is sourced from PubChem (CID 26985153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).