3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide

C15H17N3O4 — CID 171136875

IUPAC3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCc1nc(C2CCOCC2)no1
InChIInChI=1S/C15H17N3O4/c19-13(4-3-12-2-1-7-21-12)16-10-14-17-15(18-22-14)11-5-8-20-9-6-11/h1-4,7,11H,5-6,8-10H2,(H,16,19)
InChIKeyLZPIXOPSEYYHCZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.89
Rot. Bonds5

About 3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide

3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide (PubChem CID 171136875) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
PubChem CID171136875
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCc1nc(C2CCOCC2)no1
InChIInChI=1S/C15H17N3O4/c19-13(4-3-12-2-1-7-21-12)16-10-14-17-15(18-22-14)11-5-8-20-9-6-11/h1-4,7,11H,5-6,8-10H2,(H,16,19)
InChIKeyLZPIXOPSEYYHCZ-UHFFFAOYSA-N
XLogP1.89
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 122245423
N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121021963
(E)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 86265827
(E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 90607825
2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
CID 122160536
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 65334732
(E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
CID 114694014
(E)-3-(2-chlorophenyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide
CID 98476326
3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
CID 72692640
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide (CID 171136875) is 3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide is O=C(C=Cc1ccco1)NCc1nc(C2CCOCC2)no1.
What is the InChIKey of 3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide?
The InChIKey is LZPIXOPSEYYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-13(4-3-12-2-1-7-21-12)16-10-14-17-15(18-22-14)11-5-8-20-9-6-11/h1-4,7,11H,5-6,8-10H2,(H,16,19).
What are the key properties of 3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide?
3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide has a molecular weight of 303.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide is sourced from PubChem (CID 171136875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).