N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine

C21H25N3OS — CID 157123598

IUPACN-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
SMILESCC(C)Cc1ccc(-c2nc(-c3ccc(CNC4CCC4)cc3)no2)s1
InChIInChI=1S/C21H25N3OS/c1-14(2)12-18-10-11-19(26-18)21-23-20(24-25-21)16-8-6-15(7-9-16)13-22-17-4-3-5-17/h6-11,14,17,22H,3-5,12-13H2,1-2H3
InChIKeyABSRIZXCLDYLFA-UHFFFAOYSA-N
MW367.52 g/mol
LogP5.31
Rot. Bonds7

About N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine

N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine (PubChem CID 157123598) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
PubChem CID157123598
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
SMILESCC(C)Cc1ccc(-c2nc(-c3ccc(CNC4CCC4)cc3)no2)s1
InChIInChI=1S/C21H25N3OS/c1-14(2)12-18-10-11-19(26-18)21-23-20(24-25-21)16-8-6-15(7-9-16)13-22-17-4-3-5-17/h6-11,14,17,22H,3-5,12-13H2,1-2H3
InChIKeyABSRIZXCLDYLFA-UHFFFAOYSA-N
XLogP5.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine with MolForge

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Related Compounds

1-methyl-4-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 71034738
[3-[[4-[3-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methylamino]cyclobutyl] formate
CID 87529920
(cyclobutylamino)methyl [4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonate;formic acid
CID 158325207
N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
CID 141194678
N-[(2R)-3-[2,6-dimethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 24784421
3-[[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]cyclobutane-1-carboxylic acid
CID 24895474
3-[[2-fluoro-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutane-1-carboxylic acid
CID 139266790
1-[[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid
CID 68522964
N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
CID 106783950
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol
CID 68649097
N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide
CID 22259441

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine?
The IUPAC name of N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine (CID 157123598) is N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine?
The canonical SMILES for N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine is CC(C)Cc1ccc(-c2nc(-c3ccc(CNC4CCC4)cc3)no2)s1.
What is the InChIKey of N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine?
The InChIKey is ABSRIZXCLDYLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-14(2)12-18-10-11-19(26-18)21-23-20(24-25-21)16-8-6-15(7-9-16)13-22-17-4-3-5-17/h6-11,14,17,22H,3-5,12-13H2,1-2H3.
What are the key properties of N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine?
N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine has a molecular weight of 367.52 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine is sourced from PubChem (CID 157123598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).