N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C16H17N5O2 — CID 167780374

IUPACN-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2ccc(-c3cnc[nH]3)cc2)n1
InChIInChI=1S/C16H17N5O2/c1-10(22)20-16(2,3)15-19-14(23-21-15)12-6-4-11(5-7-12)13-8-17-9-18-13/h4-9H,1-3H3,(H,17,18)(H,20,22)
InChIKeyFJHVRKWESRTSHA-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.50
Rot. Bonds4

About N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 167780374) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID167780374
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2ccc(-c3cnc[nH]3)cc2)n1
InChIInChI=1S/C16H17N5O2/c1-10(22)20-16(2,3)15-19-14(23-21-15)12-6-4-11(5-7-12)13-8-17-9-18-13/h4-9H,1-3H3,(H,17,18)(H,20,22)
InChIKeyFJHVRKWESRTSHA-UHFFFAOYSA-N
XLogP2.50
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
CID 120834493
N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71970083
2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 100611516
N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71874129
N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71931336
N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 99838281
N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 136515906
N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71978816
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropanoic acid
CID 167428087
2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropanamide
CID 156856559
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbut-2-enamide
CID 47143697
N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71876202

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 167780374) is N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(-c2ccc(-c3cnc[nH]3)cc2)n1.
What is the InChIKey of N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is FJHVRKWESRTSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10(22)20-16(2,3)15-19-14(23-21-15)12-6-4-11(5-7-12)13-8-17-9-18-13/h4-9H,1-3H3,(H,17,18)(H,20,22).
What are the key properties of N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 311.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 167780374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).