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

C15H13N3O3S — CID 53078621

IUPAC(E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide
SMILESCc1nc(-c2cc(NC(=O)/C=C/c3ccco3)c(C)s2)no1
InChIInChI=1S/C15H13N3O3S/c1-9-12(8-13(22-9)15-16-10(2)21-18-15)17-14(19)6-5-11-4-3-7-20-11/h3-8H,1-2H3,(H,17,19)/b6-5+
InChIKeyNXFMCHVLZOTDRW-AATRIKPKSA-N
MW315.35 g/mol
LogP3.66
Rot. Bonds4

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

(E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide (PubChem CID 53078621) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide
PubChem CID53078621
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name(E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide
SMILESCc1nc(-c2cc(NC(=O)/C=C/c3ccco3)c(C)s2)no1
InChIInChI=1S/C15H13N3O3S/c1-9-12(8-13(22-9)15-16-10(2)21-18-15)17-14(19)6-5-11-4-3-7-20-11/h3-8H,1-2H3,(H,17,19)/b6-5+
InChIKeyNXFMCHVLZOTDRW-AATRIKPKSA-N
XLogP3.66
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.66
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-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 53078605
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]thiophene-2-carboxamide
CID 53093367
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 53078662
(E)-N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 82342504
(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2683689
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 53078661
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 30332465
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
3-fluoro-4-[3-(furan-2-yl)prop-2-enoylamino]benzoic acid
CID 76988155

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide (CID 53078621) is (E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide is Cc1nc(-c2cc(NC(=O)/C=C/c3ccco3)c(C)s2)no1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide?
The InChIKey is NXFMCHVLZOTDRW-AATRIKPKSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-9-12(8-13(22-9)15-16-10(2)21-18-15)17-14(19)6-5-11-4-3-7-20-11/h3-8H,1-2H3,(H,17,19)/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide has a molecular weight of 315.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide is sourced from PubChem (CID 53078621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).