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

C16H15N3O3 — CID 6458740

IUPACN-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCc1ccccc1-c1noc(C(C)NC(=O)c2ccco2)n1
InChIInChI=1S/C16H15N3O3/c1-10-6-3-4-7-12(10)14-18-16(22-19-14)11(2)17-15(20)13-8-5-9-21-13/h3-9,11H,1-2H3,(H,17,20)
InChIKeyQPUGSPRDWHCINX-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.13
Rot. Bonds4

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

N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 6458740) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
PubChem CID6458740
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCc1ccccc1-c1noc(C(C)NC(=O)c2ccco2)n1
InChIInChI=1S/C16H15N3O3/c1-10-6-3-4-7-12(10)14-18-16(22-19-14)11(2)17-15(20)13-8-5-9-21-13/h3-9,11H,1-2H3,(H,17,20)
InChIKeyQPUGSPRDWHCINX-UHFFFAOYSA-N
XLogP3.13
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (CID 6458740) is N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is Cc1ccccc1-c1noc(C(C)NC(=O)c2ccco2)n1.
What is the InChIKey of N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The InChIKey is QPUGSPRDWHCINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-6-3-4-7-12(10)14-18-16(22-19-14)11(2)17-15(20)13-8-5-9-21-13/h3-9,11H,1-2H3,(H,17,20).
What are the key properties of N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 6458740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).