N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

C21H23N3O2 — CID 110333760

IUPACN-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)16-11-7-8-12-17(16)22-18(25)13-14-19-23-24-20(26-19)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyBWVNNBSOVCTZCP-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.61
Rot. Bonds5

About N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110333760) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110333760
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)16-11-7-8-12-17(16)22-18(25)13-14-19-23-24-20(26-19)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyBWVNNBSOVCTZCP-UHFFFAOYSA-N
XLogP4.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
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N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
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3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
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3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 29368415
N-(4-acetamido-3-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46421722
N-(2-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334044
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
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N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330424
N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55753849
2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid
CID 119192005
N-(2-ethoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 110333760) is N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is CC(C)(C)c1ccccc1NC(=O)CCc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is BWVNNBSOVCTZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2,3)16-11-7-8-12-17(16)22-18(25)13-14-19-23-24-20(26-19)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110333760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).