N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide

C18H25N3O2 — CID 51099059

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide
SMILESCC(C)(C)c1nc(C(C)(C)NC(=O)CCc2ccccc2)no1
InChIInChI=1S/C18H25N3O2/c1-17(2,3)16-19-15(21-23-16)18(4,5)20-14(22)12-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H,20,22)
InChIKeyPNOPAQCEPCYYAK-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide (PubChem CID 51099059) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide
PubChem CID51099059
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide
SMILESCC(C)(C)c1nc(C(C)(C)NC(=O)CCc2ccccc2)no1
InChIInChI=1S/C18H25N3O2/c1-17(2,3)16-19-15(21-23-16)18(4,5)20-14(22)12-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H,20,22)
InChIKeyPNOPAQCEPCYYAK-UHFFFAOYSA-N
XLogP3.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide
CID 51099056
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 71935688
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide
CID 51099069
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
N-(2-cyanopropan-2-yl)-3-phenylpropanamide
CID 55029032
N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
CID 115870187
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 71882698
N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide
CID 145021408
N-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55124024
N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide
CID 3516121
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-phenylpropanamide
CID 107867522
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-phenylpropanamide
CID 61121154

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide (CID 51099059) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide is CC(C)(C)c1nc(C(C)(C)NC(=O)CCc2ccccc2)no1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide?
The InChIKey is PNOPAQCEPCYYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-17(2,3)16-19-15(21-23-16)18(4,5)20-14(22)12-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H,20,22).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide has a molecular weight of 315.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 51099059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).