N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide

C15H13N3O3 — CID 6484582

IUPACN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H13N3O3/c1-10(16-14(19)12-8-5-9-20-12)15-17-13(18-21-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,19)
InChIKeyQMQJUBCGTAHXBL-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.82
Rot. Bonds4

About N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide

N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide (PubChem CID 6484582) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide
PubChem CID6484582
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H13N3O3/c1-10(16-14(19)12-8-5-9-20-12)15-17-13(18-21-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,19)
InChIKeyQMQJUBCGTAHXBL-UHFFFAOYSA-N
XLogP2.82
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide (CID 6484582) is N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide?
The InChIKey is QMQJUBCGTAHXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10(16-14(19)12-8-5-9-20-12)15-17-13(18-21-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,19).
What are the key properties of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide?
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 6484582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).