N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide

C18H24N4O3 — CID 126830612

IUPACN-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
SMILESCC(=O)NC(C)(C)c1noc(C(NC(=O)c2ccccc2)C(C)C)n1
InChIInChI=1S/C18H24N4O3/c1-11(2)14(19-15(24)13-9-7-6-8-10-13)16-20-17(22-25-16)18(4,5)21-12(3)23/h6-11,14H,1-5H3,(H,19,24)(H,21,23)
InChIKeyGRDZRDLZUZKEKF-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.57
Rot. Bonds6

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

N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide (PubChem CID 126830612) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
PubChem CID126830612
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
SMILESCC(=O)NC(C)(C)c1noc(C(NC(=O)c2ccccc2)C(C)C)n1
InChIInChI=1S/C18H24N4O3/c1-11(2)14(19-15(24)13-9-7-6-8-10-13)16-20-17(22-25-16)18(4,5)21-12(3)23/h6-11,14H,1-5H3,(H,19,24)(H,21,23)
InChIKeyGRDZRDLZUZKEKF-UHFFFAOYSA-N
XLogP2.57
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide
CID 167870296
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide;hydrochloride
CID 120853886
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 120861770
1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
CID 95156422
5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 95164209
3,5-dichloro-4-ethoxy-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 118984725
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 95232256
N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71978816
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 83279748
N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
CID 172898229
5-(4-methylphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 118984655

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide?
The IUPAC name of N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide (CID 126830612) is N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide.
What is the SMILES notation for N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide?
The canonical SMILES for N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide is CC(=O)NC(C)(C)c1noc(C(NC(=O)c2ccccc2)C(C)C)n1.
What is the InChIKey of N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide?
The InChIKey is GRDZRDLZUZKEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(2)14(19-15(24)13-9-7-6-8-10-13)16-20-17(22-25-16)18(4,5)21-12(3)23/h6-11,14H,1-5H3,(H,19,24)(H,21,23).
What are the key properties of N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide?
N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide has a molecular weight of 344.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide is sourced from PubChem (CID 126830612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).