N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide

C22H18N4O2S — CID 53112573

IUPACN-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(-c2ccc(-c3csc(C4CC4)n3)cc2)no1)c1ccccc1
InChIInChI=1S/C22H18N4O2S/c27-21(16-4-2-1-3-5-16)23-12-19-25-20(26-28-19)15-8-6-14(7-9-15)18-13-29-22(24-18)17-10-11-17/h1-9,13,17H,10-12H2,(H,23,27)
InChIKeyVVGCLHUHTWBTEM-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.67
Rot. Bonds6

About N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide

N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 53112573) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID53112573
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC NameN-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(-c2ccc(-c3csc(C4CC4)n3)cc2)no1)c1ccccc1
InChIInChI=1S/C22H18N4O2S/c27-21(16-4-2-1-3-5-16)23-12-19-25-20(26-28-19)15-8-6-14(7-9-15)18-13-29-22(24-18)17-10-11-17/h1-9,13,17H,10-12H2,(H,23,27)
InChIKeyVVGCLHUHTWBTEM-UHFFFAOYSA-N
XLogP4.67
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53112589
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112540
N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53035981
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide
CID 46394881
N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53112611
N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 59643509
3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole
CID 53112606
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide
CID 8836688
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 121094244
(4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 95116397

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 53112573) is N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is O=C(NCc1nc(-c2ccc(-c3csc(C4CC4)n3)cc2)no1)c1ccccc1.
What is the InChIKey of N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is VVGCLHUHTWBTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c27-21(16-4-2-1-3-5-16)23-12-19-25-20(26-28-19)15-8-6-14(7-9-15)18-13-29-22(24-18)17-10-11-17/h1-9,13,17H,10-12H2,(H,23,27).
What are the key properties of N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 402.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 53112573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).