N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide

C17H22N4O2 — CID 119528258

IUPACN-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESNC(CNC(=O)CCCc1nc(C2CC2)no1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c18-14(12-5-2-1-3-6-12)11-19-15(22)7-4-8-16-20-17(21-23-16)13-9-10-13/h1-3,5-6,13-14H,4,7-11,18H2,(H,19,22)
InChIKeyHPFBKAOTSMPXOM-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.09
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide

N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 119528258) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID119528258
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESNC(CNC(=O)CCCc1nc(C2CC2)no1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c18-14(12-5-2-1-3-6-12)11-19-15(22)7-4-8-16-20-17(21-23-16)13-9-10-13/h1-3,5-6,13-14H,4,7-11,18H2,(H,19,22)
InChIKeyHPFBKAOTSMPXOM-UHFFFAOYSA-N
XLogP2.09
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide
CID 99846634
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide
CID 124735491
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526971
5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110561
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 110004468
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526959
benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate
CID 75372856
5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid
CID 120690778
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 90649458
2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid
CID 119246497
N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide
CID 119529430
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
CID 119199076

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide (CID 119528258) is N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide is NC(CNC(=O)CCCc1nc(C2CC2)no1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is HPFBKAOTSMPXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-14(12-5-2-1-3-6-12)11-19-15(22)7-4-8-16-20-17(21-23-16)13-9-10-13/h1-3,5-6,13-14H,4,7-11,18H2,(H,19,22).
What are the key properties of N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide?
N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 314.39 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 119528258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).