N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C16H15N3O3 — CID 665591

IUPACN-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCc1ccco1
InChIInChI=1S/C16H15N3O3/c20-14(17-11-13-7-4-10-21-13)8-9-15-18-16(19-22-15)12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,17,20)
InChIKeyDTJISKWAXDOPAG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.58
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 665591) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID665591
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCc1ccco1
InChIInChI=1S/C16H15N3O3/c20-14(17-11-13-7-4-10-21-13)8-9-15-18-16(19-22-15)12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,17,20)
InChIKeyDTJISKWAXDOPAG-UHFFFAOYSA-N
XLogP2.58
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 665591) is N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is DTJISKWAXDOPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-14(17-11-13-7-4-10-21-13)8-9-15-18-16(19-22-15)12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,17,20).
What are the key properties of N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 297.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 665591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).