N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide

C18H19N3O4 — CID 111478813

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1cc(C(C)(O)CNC(=O)c2ccc(-c3ncon3)cc2)c(C)o1
InChIInChI=1S/C18H19N3O4/c1-11-8-15(12(2)25-11)18(3,23)9-19-17(22)14-6-4-13(5-7-14)16-20-10-24-21-16/h4-8,10,23H,9H2,1-3H3,(H,19,22)
InChIKeyHQWLTWUONPYKQV-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.58
Rot. Bonds5

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 111478813) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
PubChem CID111478813
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1cc(C(C)(O)CNC(=O)c2ccc(-c3ncon3)cc2)c(C)o1
InChIInChI=1S/C18H19N3O4/c1-11-8-15(12(2)25-11)18(3,23)9-19-17(22)14-6-4-13(5-7-14)16-20-10-24-21-16/h4-8,10,23H,9H2,1-3H3,(H,19,22)
InChIKeyHQWLTWUONPYKQV-UHFFFAOYSA-N
XLogP2.58
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
CID 111479066
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
CID 120533257
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111478851

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide (CID 111478813) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide is Cc1cc(C(C)(O)CNC(=O)c2ccc(-c3ncon3)cc2)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is HQWLTWUONPYKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11-8-15(12(2)25-11)18(3,23)9-19-17(22)14-6-4-13(5-7-14)16-20-10-24-21-16/h4-8,10,23H,9H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 341.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 111478813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).