3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide

C20H19N3O3 — CID 71870115

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C20H19N3O3/c1-23(12-13-4-2-7-17(24)10-13)20(25)16-6-3-5-15(11-16)18-21-19(26-22-18)14-8-9-14/h2-7,10-11,14,24H,8-9,12H2,1H3
InChIKeyCFHVJNZDDGHYOZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.59
Rot. Bonds5

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide (PubChem CID 71870115) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
PubChem CID71870115
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C20H19N3O3/c1-23(12-13-4-2-7-17(24)10-13)20(25)16-6-3-5-15(11-16)18-21-19(26-22-18)14-8-9-14/h2-7,10-11,14,24H,8-9,12H2,1H3
InChIKeyCFHVJNZDDGHYOZ-UHFFFAOYSA-N
XLogP3.59
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 119046373
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829153
3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
CID 118783123
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-propylsulfonylbenzamide
CID 99812815
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide
CID 26315578
2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 53041723
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
tert-butyl (2S)-2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-methylbutanoate
CID 176584871
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide (CID 71870115) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(O)c1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is CFHVJNZDDGHYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23(12-13-4-2-7-17(24)10-13)20(25)16-6-3-5-15(11-16)18-21-19(26-22-18)14-8-9-14/h2-7,10-11,14,24H,8-9,12H2,1H3.
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 349.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 71870115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).