N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide

C15H15N3O3S — CID 53156143

IUPACN-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide
SMILESCC(C)c1noc(-c2ccc(CNC(=O)c3ccco3)s2)n1
InChIInChI=1S/C15H15N3O3S/c1-9(2)13-17-15(21-18-13)12-6-5-10(22-12)8-16-14(19)11-4-3-7-20-11/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyLXDBHILEYVPJNA-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.44
Rot. Bonds5

About N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide

N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide (PubChem CID 53156143) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide
PubChem CID53156143
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide
SMILESCC(C)c1noc(-c2ccc(CNC(=O)c3ccco3)s2)n1
InChIInChI=1S/C15H15N3O3S/c1-9(2)13-17-15(21-18-13)12-6-5-10(22-12)8-16-14(19)11-4-3-7-20-11/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyLXDBHILEYVPJNA-UHFFFAOYSA-N
XLogP3.44
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide
CID 53156179
2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide
CID 53156159
N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
CID 91893057
3-[5-[(furan-2-carbonylamino)methyl]thiophen-2-yl]prop-2-enoic acid
CID 77033663
N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 32617949
2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226434
N-[3-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 47090500
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 53156193
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 53126019
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 90612101
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
CID 91909329

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide (CID 53156143) is N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide is CC(C)c1noc(-c2ccc(CNC(=O)c3ccco3)s2)n1.
What is the InChIKey of N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide?
The InChIKey is LXDBHILEYVPJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9(2)13-17-15(21-18-13)12-6-5-10(22-12)8-16-14(19)11-4-3-7-20-11/h3-7,9H,8H2,1-2H3,(H,16,19).
What are the key properties of N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide?
N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 53156143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).