2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide

C18H17N3O3 — CID 6462831

IUPAC2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide
SMILESC=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccoc1C
InChIInChI=1S/C18H17N3O3/c1-3-10-21(18(22)15-9-11-23-13(15)2)12-16-19-17(20-24-16)14-7-5-4-6-8-14/h3-9,11H,1,10,12H2,2H3
InChIKeyNRXFZAJYKJKENE-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.47
Rot. Bonds6

About 2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide

2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide (PubChem CID 6462831) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide
PubChem CID6462831
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide
SMILESC=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccoc1C
InChIInChI=1S/C18H17N3O3/c1-3-10-21(18(22)15-9-11-23-13(15)2)12-16-19-17(20-24-16)14-7-5-4-6-8-14/h3-9,11H,1,10,12H2,2H3
InChIKeyNRXFZAJYKJKENE-UHFFFAOYSA-N
XLogP3.47
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-N-prop-2-enylfuran-3-carboxamide
CID 6462227
2,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylbenzamide
CID 8875297
2-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8835731
3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea
CID 8895595
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-N-prop-2-enyl-1,2-oxazole-5-carboxamide
CID 50953657
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8875301
3-tert-butyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea
CID 6462165
3-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8835655
(2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride
CID 154892021
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 6464157
2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8836015
5-chloro-2-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8875248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide?
The IUPAC name of 2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide (CID 6462831) is 2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide is C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccoc1C.
What is the InChIKey of 2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide?
The InChIKey is NRXFZAJYKJKENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-10-21(18(22)15-9-11-23-13(15)2)12-16-19-17(20-24-16)14-7-5-4-6-8-14/h3-9,11H,1,10,12H2,2H3.
What are the key properties of 2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide?
2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide is sourced from PubChem (CID 6462831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).