N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C19H25N3O3 — CID 125137792

IUPACN-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C[C@@H]3CCO[C@@H](C(C)C)C3)n2)cc1
InChIInChI=1S/C19H25N3O3/c1-12(2)17-10-14(8-9-24-17)11-18-21-19(22-25-18)15-4-6-16(7-5-15)20-13(3)23/h4-7,12,14,17H,8-11H2,1-3H3,(H,20,23)/t14-,17-/m1/s1
InChIKeyXHRSMRMTDZFMHJ-RHSMWYFYSA-N
MW343.43 g/mol
LogP3.69
Rot. Bonds5

About N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 125137792) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID125137792
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C[C@@H]3CCO[C@@H](C(C)C)C3)n2)cc1
InChIInChI=1S/C19H25N3O3/c1-12(2)17-10-14(8-9-24-17)11-18-21-19(22-25-18)15-4-6-16(7-5-15)20-13(3)23/h4-7,12,14,17H,8-11H2,1-3H3,(H,20,23)/t14-,17-/m1/s1
InChIKeyXHRSMRMTDZFMHJ-RHSMWYFYSA-N
XLogP3.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
CID 17358750
N-[4-[5-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130405
N-[4-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53130348
N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide
CID 6494974
4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 177135048
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-acetamidophenyl)acetate
CID 8671553
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium
CID 8791442
N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 53075358
N-[4-[5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130406
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
N-[4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]acetamide
CID 17101470
N-[4-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]phenyl]acetamide
CID 6485283

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 125137792) is N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc(C[C@@H]3CCO[C@@H](C(C)C)C3)n2)cc1.
What is the InChIKey of N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is XHRSMRMTDZFMHJ-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(2)17-10-14(8-9-24-17)11-18-21-19(22-25-18)15-4-6-16(7-5-15)20-13(3)23/h4-7,12,14,17H,8-11H2,1-3H3,(H,20,23)/t14-,17-/m1/s1.
What are the key properties of N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[(2R,4R)-2-propan-2-yloxan-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 125137792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).